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Author SHA1 Message Date
Peter Boyle b039e659af 4D pseudo fermion 2026-08-12 12:51:55 -04:00
Peter Boyle d16d44dda0 Prepare for reduced Ls during evolution forces using 4D pseudo fermion.
Worth an effort to understand if the different stochastic estimator is cleaner.
2026-08-12 12:51:01 -04:00
Peter Boyle 1c19389ba6 Two flavour boson term 2026-08-12 12:50:32 -04:00
Peter Boyle 02fdff674c Test the PVdagM left prec pseudofermion formulation 2026-08-12 12:49:59 -04:00
Peter Boyle fd8b6a23a6 PvDagM or other left prec precon two flavour ratio 2026-08-12 12:49:21 -04:00
Peter Boyle 9e3a51d078 Use the new DenseCoarseInverse class 2026-08-12 12:48:19 -04:00
Peter Boyle 6f7a2ad7c7 Dense coarse inverse wrapper class, bundling up a bunch of useful work 2026-08-12 12:47:40 -04:00
Peter Boyle 499d656949 Batch blas test 2026-08-12 12:47:16 -04:00
Peter Boyle ba68f09026 Batch inverse 2026-08-12 12:46:56 -04:00
Peter Boyle 3bdeeb73ef Update 2026-08-12 12:44:56 -04:00
Peter Boyle 19868a800f Blas optimise change 2026-08-12 12:43:40 -04:00
Peter Boyle df908ee872 3 level dense 2026-08-11 17:50:12 -04:00
Peter Boyle 84715ff4b9 Default to fast path 2026-08-11 17:39:12 -04:00
Peter Boyle 5792195073 Check in codes used at time of Lattice conference for PVdagM multigrid 2026-08-11 16:35:42 -04:00
Peter Boyle fb5662a449 Setup on Frontier 2026-08-11 16:35:42 -04:00
Peter Boyle 6b2ad3db80 Inverse improvements. Need to make this properly recursive 2026-08-11 16:35:42 -04:00
Peter Boyle f1a969f0c3 Evict all optoin 2026-08-11 16:35:42 -04:00
Peter Boyle f18320a152 GeneralCoarsenedMatrix speed up -- same optimisations for fast
calculation used by GeneralCoarsenedMatrixMultiRHS
2026-08-11 16:35:42 -04:00
Peter Boyle bfcde59199 Memory manager improvements 2026-08-11 16:35:42 -04:00
Peter Boyle f23e9e70cd Global orthogonalise routine 2026-08-11 16:35:42 -04:00
Peter Boyle 06fcd31da0 Verbose options 2026-08-11 16:35:42 -04:00
Peter Boyle 7e4fe99b1e Logging update 2026-08-11 16:35:42 -04:00
Peter Boyle 159ea3d64d Better logging performance 2026-08-11 16:35:42 -04:00
Peter Boyle 1f55c13bc4 Test script for Frontier on I/O 2026-08-11 13:37:50 -04:00
Peter Boyle d68b111d06 Switch on the faster IO be default 2026-08-11 13:36:50 -04:00
Peter Boyle 41f5a02204 IO updates for AllToAllV aggregation of contiguous chunks.
May finally clean up the poor MPI2 IO performance issue that has been persistent.
2026-08-11 13:33:04 -04:00
Peter Boyle 7647576863 Sourceme's for frontier 2026-06-26 11:50:44 -04:00
Peter Boyle f11ba18df2 Remove accelerator_inline on CPU only code 2026-06-17 20:47:15 +02:00
Peter Boyle cf8587e401 Update booster compiule 2026-06-17 20:46:53 +02:00
Peter Boyle 7dd35ef749 Make disable accelerator aware mpi compile for CUDA 2026-06-17 20:46:14 +02:00
Peter Boyle 41e570ddce Annoying old CPU perfmon code should be removed or deprecated as not
worth maintaining
2026-06-17 20:45:32 +02:00
Peter Boyle a452131b50 Print improvement 2026-06-17 20:45:04 +02:00
Peter Boyle 4e49ca55ab Merge branch 'develop' of https://github.com/paboyle/Grid into develop 2026-06-16 11:20:12 -07:00
Peter Boyle c3f4474401 Adding Mattia's memory leak test 2026-06-16 11:19:36 -07:00
Peter Boyle 3d3eff86f3 Modify move assignment operator to be noexcept
Add noexcept specifier to move assignment operator.
2026-06-11 09:44:24 -04:00
Peter Boyle fc9f154ac1 Modify Lattice move constructor to be noexcept
Add noexcept specifier to move constructor for Lattice class.
2026-06-11 09:40:06 -04:00
Peter Boyle 4aa0bca4dc Change sum operation to use gpucub mistake in PR from Chris
Updated the sum operation definition for GPU reduction to use gpucub instead of cub.
2026-06-01 14:12:25 -04:00
49 changed files with 12306 additions and 185 deletions

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+91 -6
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@@ -31,25 +31,53 @@ Key configure options:
| `--with-gmp=`, `--with-mpfr=`, `--with-fftw=`, `--with-lime=` | paths to libs |
| `--enable-hdf5`, `--enable-mkl`, `--enable-lapack` | optional features |
GPU builds additionally need `--enable-gen-simd-width=64` (sets 512-bit SIMD width for GPU warp/wavefront sizing) and `--enable-unified=no --enable-shm=nvlink` for multi-GPU runs.
To speed up compilation, `--disable-fermion-reps --disable-gparity` skips instantiating G-parity and higher-representation fermion operators.
Platform recipes from `README.md`:
- **KNL**: `--enable-simd=KNL --enable-comms=mpi3-auto --enable-mkl`
- **Skylake/Haswell**: `--enable-simd=AVX512` or `AVX2` + `--enable-comms=mpi3-auto`
- **AMD EPYC**: `--enable-simd=AVX2 --enable-comms=mpi3`
- **A64FX (Fugaku)**: `--enable-simd=A64FX --enable-comms=mpi3 --enable-shm=shmget` (see `SVE_README.txt`)
Complete, working `configure` invocations for specific HPC systems (Frontier/ROCm, Perlmutter/CUDA, Summit, SDCC-A100, etc.) live in `systems/<platform>/config-command`. These are the canonical references for production builds.
Required external libs: GMP, MPFR, OpenSSL, zlib.
## Running Tests
### Use `systems/` for real machines
`systems/<machine>/` holds the known-good build for each production platform (`Frontier`, `Aurora`, `Perlmutter`, `Summit`, `Tursa`, `Lumi`, `Booster`, `Crusher`, `SDCC-*`, `mac-arm`, …). Each contains a `config-command` (the exact `../../configure` invocation) and a `sourceme.sh` (module loads and env). **Prefer copying/adapting these over hand-rolling configure flags** — they encode compiler workarounds, `LDFLAGS`, and shared-memory settings that are easy to get wrong. `systems/WorkArounds.txt` records known vendor bugs.
Note the GPU builds use `--enable-simd=GPU --enable-gen-simd-width=64`, so `Nsimd` is *not* 1 on device (it is `64/sizeof(scalar)`).
### Regenerating `Make.inc` — required after adding or deleting source files
`Make.inc` files are generated, not tracked in git (`.gitignore`d). `scripts/filelist` walks `Grid/`, `tests/*`, `benchmarks/`, `examples/`, and `HMC/` and writes the file lists and per-test `bin_PROGRAMS` rules. Every new `.cc`/`.h` in `Grid/`, and every new `Test_*.cc` / `Benchmark_*.cc` / `Example_*.cc`, is invisible to the build until you run:
```bash
./scripts/filelist # from the source root, then re-run configure/make
```
`bootstrap.sh` runs it for you on the first setup.
## Running Tests and Benchmarks
```bash
# From build directory
make check # root-level tests (Test_simd, Test_cshift, etc.)
make -C tests/<subdir> tests # build tests in a subdirectory
make tests # build all tests across all subdirectories
./tests/core/Test_simd # run a single test binary directly
mpirun -n 4 ./tests/core/Test_cshift --grid 16.16.16.16 --mpi 1.1.1.4
```
`make check` is a thin smoke test — building a subdirectory with `make -C tests/<subdir> tests` and running the relevant binaries directly is the normal development loop. Test binaries take Grid's standard command-line arguments (`--grid`, `--mpi`, `--accelerator-threads`, `--threads`, `--debug-signals`, `--log`); see `Grid/util/Init.cc`.
Test subdirectories and their focus: `core` (SIMD, stencil, comms), `solver` (CG, GMRES, eigensolvers), `hmc` (MD integrators), `forces` (fermion forces), `lanczos`, `IO`, `smearing`, `sp2n`, `debug`.
Tests and benchmarks that need optional fermion representations are guarded by `disable_tests_without_instantiations.h` / `disable_benchmarks_without_instantiations.h`, so a `--disable-fermion-reps --disable-gparity` build silently compiles them to no-ops.
## Architecture
### Layer stack (bottom to top)
@@ -62,7 +90,7 @@ Test subdirectories and their focus: `core` (SIMD, stencil, comms), `solver` (CG
4. **Cartesian/comms layer** (`Grid/cartesian/`, `Grid/communicator/`) — `GridCartesian` holds the MPI topology and local/global geometry. `Grid/cshift/` implements nearest-neighbour halo exchange; `Grid/stencil/` is the optimised multi-hop stencil used by Dirac operators.
5. **Algorithm layer** (`Grid/algorithms/`) — iterative solvers (CG, GMRES, BiCGSTAB, mixed-precision), eigensolvers (Lanczos, LAPACK), FFT, smearing.
5. **Algorithm layer** (`Grid/algorithms/`) — iterative solvers (CG, GMRES, BiCGSTAB, mixed-precision), eigensolvers (Lanczos, LAPACK), FFT, smearing, and multigrid.
6. **QCD layer** (`Grid/qcd/`) — gauge and fermion actions, HMC integrators, observables.
@@ -75,9 +103,54 @@ Test subdirectories and their focus: `core` (SIMD, stencil, comms), `solver` (CG
- `smearing/` — APE, Stout, HEX, gradient flow
- `observables/` — Polyakov loop, plaquette, topological charge
### GPU acceleration and the view/memory-manager discipline
### Multigrid (`Grid/algorithms/multigrid/`)
Aggregation-based algebraic multigrid for Wilson-type fermions. Key files: `CoarsenedMatrix.h` (coarse operator), `GeneralCoarsenedMatrix.h` and `GeneralCoarsenedMatrixMultiRHS.h` (general coarsening supporting multi-RHS solves), `Aggregates.h` (near-null vector construction), `Geometry.h` (coarse-grid geometry). `MultiGrid.h` is the top-level include.
### GPU acceleration
GPU support is injected via macros (`accelerator_for`, `accelerator_for2dNB`). The `Grid/simd/` SIMD types map to scalar on GPU device code; host code paths remain vectorised. Unified virtual memory is on by default (`--enable-unified=yes`); device-aware MPI (`--enable-accelerator-aware-mpi`) avoids device→host copies on transfers.
GPU support is injected via macros in `Grid/threads/Accelerator.h` — `accelerator_for(i, n, nsimd, {...})`, `accelerator_forNB` (non-blocking, must be followed by `accelerator_barrier()`), `accelerator_for2dNB`, and `accelerator_inline`. On a CPU build these degrade to `thread_for` (OpenMP). Unified virtual memory is on by default (`--enable-unified=yes`); device-aware MPI (`--enable-accelerator-aware-mpi`) avoids device→host copies on transfers.
Lattice data is **not** directly addressable inside a kernel. You must open a view with the correct access mode so `Grid/allocator/MemoryManager.h` can move/mark the data:
```cpp
autoView(out_v, out, AcceleratorWriteDiscard); // RAII; closes at end of scope
autoView(in_v, in, AcceleratorRead);
accelerator_for(ss, grid->oSites(), Nsimd, {
coalescedWrite(out_v[ss], coalescedRead(in_v[ss]));
});
```
Modes are `AcceleratorRead/Write/WriteDiscard` and `CpuRead/Write/WriteDiscard`. Getting the mode wrong (e.g. `AcceleratorRead` on a field you write) produces stale-data bugs that only appear on GPU builds. Inside kernels use `coalescedRead`/`coalescedWrite` rather than raw `operator[]` — they map the SIMD lane onto `threadIdx.x` so accesses stay coalesced.
### Repo-local debugging skills (`skills/`)
`skills/` contains hard-won, Grid-specific playbooks written as invocable skill files. Consult them before debugging in these areas rather than reasoning from first principles:
| File | Covers |
|---|---|
| `gpu-memory-performance.md` | `acceleratorThreads()`, LambdaApply thread mapping, `coalescedRead` idiom, fused vs staged HBM access |
| `gpu-runtime-correctness.md` | GPU runtime returning early from sync, silent wrong answers |
| `communication-overlap.md` | 7-phase halo pipeline, per-packet events, host-staging vs GPU-direct RDMA |
| `mpi-heterogeneous.md` | `MPI_Sendrecv` device-buffer aliasing, deterministic reductions |
| `compiler-validation.md` | Isolating GPU compiler codegen bugs, minimal reproducers |
| `correctness-verification.md` | Double-run fingerprinting, per-packet checksums, flight recorder |
| `hang-diagnosis.md` | Diagnosing MPI/accelerator hangs |
The key loop macros (defined in `Grid/threads/Accelerator.h`) are:
- `accelerator_for(iter, num, nsimd, {...})` — maps to CUDA/HIP kernel or OpenMP loop; `nsimd` is the innermost SIMD lane count
- `accelerator_forNB(...)` — non-blocking variant (no implicit barrier)
- `accelerator_for2dNB(iter1, num1, iter2, num2, nsimd, {...})` — 2D kernel launch
- `thread_for(iter, num, {...})` — CPU OpenMP loop (never dispatches to GPU)
On CPU builds, `accelerator_for` aliases to `thread_for`.
### Solver patterns
`SchurRedBlack` (`Grid/algorithms/iterative/SchurRedBlack.h`) implements red-black (even/odd) preconditioning for fermion operators. Most production fermion solves use `SchurRedBlackDiagMooeeSolve` or similar wrappers that internally call a `ConjugateGradient` on the Schur complement.
Mixed-precision solvers (`ConjugateGradientMixedPrec`, `BiCGSTABMixedPrec`) drive a double-precision outer loop with single-precision inner solves.
### Memory and I/O
@@ -85,14 +158,26 @@ GPU support is injected via macros (`accelerator_for`, `accelerator_for2dNB`). T
- `Grid/parallelIO/` — distributed parallel reader/writer for ILDG (via LIME), SciDAC, and native binary formats
- `Grid/serialisation/` — text, binary, HDF5, XML/JSON serialisation of arbitrary Grid objects
### HMC applications
### Executables
`HMC/` contains production-ready HMC driver programmes (e.g. `Mobius2p1f.cc`, `DWF_plus_DSDR_nf2plus1_Shamir_Gparity.cc`). These are built separately from the library tests.
- `HMC/` — production HMC driver programmes (e.g. `Mobius2p1f.cc`, `DWF_plus_DSDR_nf2plus1_Shamir_Gparity.cc`)
- `benchmarks/` — `Benchmark_dwf`, `Benchmark_ITT`, `Benchmark_comms`, `Benchmark_memory_bandwidth`, … used to qualify a new machine
- `examples/` — small, readable programmes (`Example_plaquette.cc`, `Example_Mobius_spectrum.cc`) that are the best starting point for learning the API
Each of these directories auto-builds every top-level `.cc` as its own binary via `scripts/filelist`.
Every programme is wrapped in `Grid_init(&argc, &argv)` / `Grid_finalize()` (`Grid/util/Init.h`).
## Key Conventions
- **C++17** is required throughout.
- Template structure: most classes are templated on `<_FImpl>` (fermion impl) or `<Gimpl>` (gauge impl), which encode the representation and precision. Instantiation is controlled by `--enable-fermion-instantiations`.
- **Tensor indices are positional, not labelled.** The `Grid/tensors/` arithmetic recurses structurally over the `iScalar`/`iVector`/`iMatrix` nest: each level defines only the {scalar,vector,matrix}² products at its own level, with element types resolved by automatic type deduction, so every colour/spin/lorentz combination composes from ~200 lines (versus the pre-C++11 QDP++/PETE approach of machine-generating every case). An index's meaning derives entirely from its nesting depth counted from the outside; `iScalar` is the identity/broadcast case at every level. Never insert or remove a nesting level casually — the multiplication tables contract by position.
- **Multigrid coarsening deepens the tensor nest by one level.** A coarse site vector is `iVector<CComplex,nbasis>`, and `innerProduct` on it returns `iScalar<CComplex>` — one level deeper than the fine block scalar. So the block-inner-product scalar type gains one `iScalar` wrapper per MG level (fine: `vTComplex`; level 2: `iScalar<vTComplex>`; see `examples/Example_pvdagm_3level.cc`). When calling `blockInnerProduct`/`blockZAXPY`/`blockOrthogonalise` on coarse fields, the coarse scalar type must match `decltype(innerProduct(siteVector(),siteVector()))` exactly; a wrong depth fails to compile (no viable `operator=` deep in the instantiation chain) rather than mis-contracting.
- The `RealD`/`RealF`/`ComplexD`/`ComplexF` typedefs are used everywhere; avoid raw `double`/`float`.
- Logging uses `Grid_log`, `Grid_error` macros (from `Grid/log/`); performance-critical paths use the `GRID_TRACE` / timer macros from `Grid/perfmon/`.
- Use `GRID_ASSERT(cond)` (defined in `Grid/GridStd.h`), not bare `assert` — it prints a Grid-formatted message and aborts cleanly under MPI.
- Logging is stream-based, not macro-based: `std::cout << GridLogMessage << ... << std::endl;`. Channels declared in `Grid/log/Log.h` include `GridLogError`, `GridLogWarning`, `GridLogDebug`, `GridLogPerformance`, `GridLogIterative`, `GridLogSolver`, `GridLogHMC`, `GridLogComms`, `GridLogMemory`, `GridLogDslash`, `GridLogIRL`, `GridLogMG`. A subset is switched on at runtime with e.g. `--log Error,Warning,Message,Performance,Iterative,Integrator,Debug,Colours` (names given without the `GridLog` prefix).
- Performance-critical paths use `GRID_TRACE(name)` from `Grid/perfmon/Tracing.h` (compiled out unless `--enable-tracing` selects a backend) and the `GridStopWatch` timers in `Grid/perfmon/Timer.h`.
- Reductions across MPI ranks go through `GridBase::GlobalSum` / `GlobalMax`; never reduce with bare MPI calls inside library code.
- Everything lives in `NAMESPACE_BEGIN(Grid)` / `NAMESPACE_END(Grid)` macros; follow the surrounding file rather than writing `namespace Grid { }`.
- British spelling is used in identifiers and comments (`colour`, `neighbour`, `serialisation`).
+222
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@@ -695,6 +695,228 @@ public:
RealD bytes = 1.0*sizeof(ComplexF)*(m*k+k*n+m*n)*batchCount;
}
///////////////////////////////////////////////////////////////////////////////////
// Explicit-leading-dimension complex single GEMM.
//
// A,B,C may be SLICES of larger parent allocations: lda/ldb/ldc are the
// PARENT strides (>= the compact values the ten-argument overload derives).
// Motivating use: software split-K for tiny-output/huge-K dense multiplies
// (arXiv:2409.03904 fig 11; cf MultiRHSBlockCGLinalg) -- batch over K-chunks
// of a dense slab by pointer offset j*Kchunk with lda = the full K extent,
// then reduce the partial C's. Backends pass lda straight through; only
// the compact overload invented them.
///////////////////////////////////////////////////////////////////////////////////
void gemmBatched(GridBLASOperation_t OpA,
GridBLASOperation_t OpB,
int m,int n, int k,
ComplexF alpha,
deviceVector<ComplexF*> &Amk, int lda,
deviceVector<ComplexF*> &Bkn, int ldb,
ComplexF beta,
deviceVector<ComplexF*> &Cmn, int ldc,
GridBLASPrecision_t precision = GridBLAS_PRECISION_DEFAULT)
{
RealD t2=usecond();
int32_t batchCount = Amk.size();
GRID_ASSERT( lda >= ((OpA==GridBLAS_OP_N) ? m : k) );
GRID_ASSERT( ldb >= ((OpB==GridBLAS_OP_N) ? k : n) );
GRID_ASSERT( ldc >= m );
static deviceVector<ComplexF> alpha_p(1);
static deviceVector<ComplexF> beta_p(1);
acceleratorCopyToDevice((void *)&alpha,(void *)&alpha_p[0],sizeof(ComplexF));
acceleratorCopyToDevice((void *)&beta ,(void *)&beta_p[0],sizeof(ComplexF));
RealD t0=usecond();
GRID_ASSERT(Bkn.size()==batchCount);
GRID_ASSERT(Cmn.size()==batchCount);
#ifdef GRID_HIP
GRID_ASSERT(precision == GridBLAS_PRECISION_DEFAULT);
hipblasOperation_t hOpA;
hipblasOperation_t hOpB;
if ( OpA == GridBLAS_OP_N ) hOpA = HIPBLAS_OP_N;
if ( OpA == GridBLAS_OP_T ) hOpA = HIPBLAS_OP_T;
if ( OpA == GridBLAS_OP_C ) hOpA = HIPBLAS_OP_C;
if ( OpB == GridBLAS_OP_N ) hOpB = HIPBLAS_OP_N;
if ( OpB == GridBLAS_OP_T ) hOpB = HIPBLAS_OP_T;
if ( OpB == GridBLAS_OP_C ) hOpB = HIPBLAS_OP_C;
#if defined(HIP_VERSION_MAJOR) && (HIP_VERSION_MAJOR >=7)
auto err = hipblasCgemmBatched(gridblasHandle,
hOpA,
hOpB,
m,n,k,
(hipComplex *) &alpha_p[0],
(hipComplex **)&Amk[0], lda,
(hipComplex **)&Bkn[0], ldb,
(hipComplex *) &beta_p[0],
(hipComplex **)&Cmn[0], ldc,
batchCount);
#else
auto err = hipblasCgemmBatched(gridblasHandle,
hOpA,
hOpB,
m,n,k,
(hipblasComplex *) &alpha_p[0],
(hipblasComplex **)&Amk[0], lda,
(hipblasComplex **)&Bkn[0], ldb,
(hipblasComplex *) &beta_p[0],
(hipblasComplex **)&Cmn[0], ldc,
batchCount);
#endif
GRID_ASSERT(err==HIPBLAS_STATUS_SUCCESS);
#endif
#ifdef GRID_CUDA
cublasOperation_t hOpA;
cublasOperation_t hOpB;
if ( OpA == GridBLAS_OP_N ) hOpA = CUBLAS_OP_N;
if ( OpA == GridBLAS_OP_T ) hOpA = CUBLAS_OP_T;
if ( OpA == GridBLAS_OP_C ) hOpA = CUBLAS_OP_C;
if ( OpB == GridBLAS_OP_N ) hOpB = CUBLAS_OP_N;
if ( OpB == GridBLAS_OP_T ) hOpB = CUBLAS_OP_T;
if ( OpB == GridBLAS_OP_C ) hOpB = CUBLAS_OP_C;
cublasStatus_t err;
if (precision == GridBLAS_PRECISION_DEFAULT) {
err = cublasCgemmBatched(gridblasHandle,
hOpA,
hOpB,
m,n,k,
(cuComplex *) &alpha_p[0],
(cuComplex **)&Amk[0], lda,
(cuComplex **)&Bkn[0], ldb,
(cuComplex *) &beta_p[0],
(cuComplex **)&Cmn[0], ldc,
batchCount);
} else {
cublasComputeType_t compute_precision = toDataType(precision);
err = cublasGemmBatchedEx(gridblasHandle,
hOpA,
hOpB,
m,n,k,
(void *) &alpha_p[0],
(void **)&Amk[0], CUDA_C_32F, lda,
(void **)&Bkn[0], CUDA_C_32F, ldb,
(void *) &beta_p[0],
(void **)&Cmn[0], CUDA_C_32F, ldc,
batchCount, compute_precision, CUBLAS_GEMM_DEFAULT);
}
GRID_ASSERT(err==CUBLAS_STATUS_SUCCESS);
#endif
#ifdef GRID_SYCL
GRID_ASSERT(precision == GridBLAS_PRECISION_DEFAULT);
int64_t m64=m;
int64_t n64=n;
int64_t k64=k;
int64_t lda64=lda;
int64_t ldb64=ldb;
int64_t ldc64=ldc;
int64_t batchCount64=batchCount;
oneapi::mkl::transpose iOpA;
oneapi::mkl::transpose iOpB;
if ( OpA == GridBLAS_OP_N ) iOpA = oneapi::mkl::transpose::N;
if ( OpA == GridBLAS_OP_T ) iOpA = oneapi::mkl::transpose::T;
if ( OpA == GridBLAS_OP_C ) iOpA = oneapi::mkl::transpose::C;
if ( OpB == GridBLAS_OP_N ) iOpB = oneapi::mkl::transpose::N;
if ( OpB == GridBLAS_OP_T ) iOpB = oneapi::mkl::transpose::T;
if ( OpB == GridBLAS_OP_C ) iOpB = oneapi::mkl::transpose::C;
oneapi::mkl::blas::column_major::gemm_batch(*gridblasHandle,
&iOpA,
&iOpB,
&m64,&n64,&k64,
(ComplexF *) &alpha_p[0],
(const ComplexF **)&Amk[0], (const int64_t *)&lda64,
(const ComplexF **)&Bkn[0], (const int64_t *)&ldb64,
(ComplexF *) &beta_p[0],
(ComplexF **)&Cmn[0], (const int64_t *)&ldc64,
(int64_t)1,&batchCount64,std::vector<sycl::event>());
synchronise();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
GRID_ASSERT(precision == GridBLAS_PRECISION_DEFAULT);
// Reference implementation: Eigen with explicit outer stride
typedef Eigen::Map<Eigen::MatrixXcf,0,Eigen::OuterStride<> > eMat;
if ( (OpA == GridBLAS_OP_N ) && (OpB == GridBLAS_OP_N) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],m,k,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],k,n,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk * eBkn ;
else
eCmn = alpha * eAmk * eBkn ;
});
} else if ( (OpA == GridBLAS_OP_C ) && (OpB == GridBLAS_OP_N) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],k,m,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],k,n,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk.adjoint() * eBkn ;
else
eCmn = alpha * eAmk.adjoint() * eBkn ;
});
} else if ( (OpA == GridBLAS_OP_T ) && (OpB == GridBLAS_OP_N) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],k,m,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],k,n,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk.transpose() * eBkn ;
else
eCmn = alpha * eAmk.transpose() * eBkn ;
});
} else if ( (OpA == GridBLAS_OP_N ) && (OpB == GridBLAS_OP_C) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],m,k,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],n,k,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk * eBkn.adjoint() ;
else
eCmn = alpha * eAmk * eBkn.adjoint() ;
});
} else if ( (OpA == GridBLAS_OP_N ) && (OpB == GridBLAS_OP_T) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],m,k,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],n,k,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk * eBkn.transpose() ;
else
eCmn = alpha * eAmk * eBkn.transpose() ;
});
} else if ( (OpA == GridBLAS_OP_C ) && (OpB == GridBLAS_OP_C) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],k,m,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],n,k,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk.adjoint() * eBkn.adjoint() ;
else
eCmn = alpha * eAmk.adjoint() * eBkn.adjoint() ;
} );
} else if ( (OpA == GridBLAS_OP_T ) && (OpB == GridBLAS_OP_T) ) {
thread_for (p, batchCount, {
eMat eAmk(Amk[p],k,m,Eigen::OuterStride<>(lda));
eMat eBkn(Bkn[p],n,k,Eigen::OuterStride<>(ldb));
eMat eCmn(Cmn[p],m,n,Eigen::OuterStride<>(ldc));
if (std::abs(beta) != 0.0)
eCmn = beta * eCmn + alpha * eAmk.transpose() * eBkn.transpose() ;
else
eCmn = alpha * eAmk.transpose() * eBkn.transpose() ;
} );
} else {
assert(0);
}
#endif
RealD t1=usecond();
RealD flops = 8.0*m*n*k*batchCount;
RealD bytes = 1.0*sizeof(ComplexF)*(m*k+k*n+m*n)*batchCount;
}
///////////////////////////////////////////////////////////////////////////
// Single precision real GEMM
///////////////////////////////////////////////////////////////////////////
+282
View File
@@ -0,0 +1,282 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: BatchedInverse.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/blas/BatchedBlas.h>
#ifdef GRID_HIP
#include <rocsolver/rocsolver.h>
#endif
// GRID_CUDA: batched LU inversion lives in cuBLAS (getrfBatched/getriBatched);
// cublas_v2.h already included via BatchedBlas.h.
// GRID_SYCL: oneapi/mkl.hpp already included via BatchedBlas.h (lapack::getrf/getri).
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// GridBLASInverse: cross-platform batched dense matrix inversion.
//
// HIGH LEVEL contract (deliberately NOT a getrf/getrs interface): invert a
// batch of dense N x N matrices IN PLACE,
//
// A[i] <- A[i]^{-1} i = 0 .. batchCount-1
//
// Layout: column major, lda = N, contiguous per batch element; pointer list
// exactly as GridBLAS::gemmBatched (deviceVector<T*> of device pointers).
// Each backend chooses HOW:
// HIP : rocSOLVER getrf_batched + getri_batched
// CUDA : cuBLAS getrfBatched + getriBatched (out-of-place getri; workspace
// hidden here, result copied back so the surface stays in-place)
// SYCL : oneMKL LAPACK getrf + getri per batch element (USM, in-order queue)
// CPU : Eigen PartialPivLU (the correctness oracle for all of the above)
//
// The int32 vendor-batched entry points bound N < 2^31 (asserted); the huge
// single-matrix ILP64 path (getrf_64 + blocked identity-getrs harvest, proven
// in the dense coarse-coarse setup at N=69120) migrates here as a batch==1
// large-N dispatch in a follow-up -- the recursive Schur leaves are the
// batched consumers this surface is shaped for.
//
// NB GPU-backend call signatures are written to vendor documentation but the
// air-gapped development loop compiles only the CPU/Eigen path; verify the
// rocSOLVER/cuBLAS/oneMKL calls against headers on first device compile.
// Semantics are locked by the CPU unit test (Test_batched_blas).
///////////////////////////////////////////////////////////////////////////////
class GridBLASInverse {
public:
#ifdef GRID_HIP
// rocSOLVER runs on a rocblas_handle (distinct type from hipblasHandle_t)
static rocblas_handle & Handle(void) {
static rocblas_handle h;
static int init = 0;
if ( !init ) {
auto st = rocblas_create_handle(&h);
GRID_ASSERT(st == rocblas_status_success);
init = 1;
}
return h;
}
#endif
#ifdef GRID_CUDA
// cuBLAS batched LU shares the GridBLAS handle
static cublasHandle_t & Handle(void) {
GridBLAS::Init();
return GridBLAS::gridblasHandle;
}
#endif
#ifdef GRID_SYCL
static sycl::queue * & Handle(void) {
GridBLAS::Init();
return GridBLAS::gridblasHandle;
}
#endif
GridBLASInverse() {};
~GridBLASInverse() {};
void inverseBatched(int64_t N, deviceVector<ComplexF*> &Amat)
{
int32_t batchCount = Amat.size();
GRID_ASSERT(batchCount > 0);
#ifdef GRID_HIP
GRID_ASSERT( N < 2147483647L );
rocblas_int n = (rocblas_int)N;
rocblas_int lda = (rocblas_int)N;
deviceVector<rocblas_int> ipiv((uint64_t)batchCount*N);
deviceVector<rocblas_int> info(batchCount);
auto st1 = rocsolver_cgetrf_batched(Handle(), n, n,
(rocblas_float_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st1 == rocblas_status_success);
auto st2 = rocsolver_cgetri_batched(Handle(), n,
(rocblas_float_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
std::vector<rocblas_int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(rocblas_int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0); // singular pivot => abort loudly
#endif
#ifdef GRID_CUDA
GRID_ASSERT( N < 2147483647L );
int n = (int)N;
deviceVector<int> ipiv((uint64_t)batchCount*N);
deviceVector<int> info(batchCount);
auto st1 = cublasCgetrfBatched(Handle(), n,
(cuComplex **)&Amat[0], n,
&ipiv[0], &info[0], batchCount);
GRID_ASSERT(st1 == CUBLAS_STATUS_SUCCESS);
// getri is OUT of place: hidden workspace keeps the surface in-place
deviceVector<ComplexF> work((uint64_t)batchCount*N*N);
deviceVector<ComplexF*> Cptr(batchCount);
std::vector<ComplexF*> Cptr_h(batchCount);
std::vector<ComplexF*> Aptr_h(batchCount);
for(int i=0;i<batchCount;i++) Cptr_h[i] = &work[(uint64_t)i*N*N];
acceleratorCopyToDevice(&Cptr_h[0],&Cptr[0],batchCount*sizeof(ComplexF*));
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexF*));
auto st2 = cublasCgetriBatched(Handle(), n,
(const cuComplex *const *)&Amat[0], n,
&ipiv[0],
(cuComplex **)&Cptr[0], n,
&info[0], batchCount);
GRID_ASSERT(st2 == CUBLAS_STATUS_SUCCESS);
accelerator_barrier();
std::vector<int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
for(int i=0;i<batchCount;i++)
acceleratorCopyDeviceToDevice(Cptr_h[i],Aptr_h[i],(uint64_t)N*N*sizeof(ComplexF));
#endif
#ifdef GRID_SYCL
// Per-element oneMKL LAPACK on the in-order queue; group API optimisation later.
sycl::queue *q = Handle();
std::vector<ComplexF*> Aptr_h(batchCount);
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexF*));
int64_t lwf = oneapi::mkl::lapack::getrf_scratchpad_size<std::complex<float> >(*q,N,N,N);
int64_t lwi = oneapi::mkl::lapack::getri_scratchpad_size<std::complex<float> >(*q,N,N);
deviceVector<ComplexF> scratchf(lwf);
deviceVector<ComplexF> scratchi(lwi);
deviceVector<int64_t> ipiv(N);
for(int i=0;i<batchCount;i++){
oneapi::mkl::lapack::getrf(*q,N,N,(std::complex<float>*)Aptr_h[i],N,&ipiv[0],
(std::complex<float>*)&scratchf[0],lwf);
oneapi::mkl::lapack::getri(*q,N, (std::complex<float>*)Aptr_h[i],N,&ipiv[0],
(std::complex<float>*)&scratchi[0],lwi);
}
q->wait();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
// Reference implementation; the oracle the unit test locks semantics with.
thread_for (p, batchCount, {
Eigen::Map<Eigen::MatrixXcf> eA(Amat[p],N,N);
Eigen::PartialPivLU<Eigen::MatrixXcf> lu(eA);
eA = lu.inverse();
});
#endif
}
void inverseBatched(int64_t N, deviceVector<ComplexD*> &Amat)
{
int32_t batchCount = Amat.size();
GRID_ASSERT(batchCount > 0);
#ifdef GRID_HIP
GRID_ASSERT( N < 2147483647L );
rocblas_int n = (rocblas_int)N;
rocblas_int lda = (rocblas_int)N;
deviceVector<rocblas_int> ipiv((uint64_t)batchCount*N);
deviceVector<rocblas_int> info(batchCount);
auto st1 = rocsolver_zgetrf_batched(Handle(), n, n,
(rocblas_double_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st1 == rocblas_status_success);
auto st2 = rocsolver_zgetri_batched(Handle(), n,
(rocblas_double_complex *const *)&Amat[0], lda,
&ipiv[0], (rocblas_stride)N,
&info[0], batchCount);
GRID_ASSERT(st2 == rocblas_status_success);
accelerator_barrier();
std::vector<rocblas_int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(rocblas_int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
#endif
#ifdef GRID_CUDA
GRID_ASSERT( N < 2147483647L );
int n = (int)N;
deviceVector<int> ipiv((uint64_t)batchCount*N);
deviceVector<int> info(batchCount);
auto st1 = cublasZgetrfBatched(Handle(), n,
(cuDoubleComplex **)&Amat[0], n,
&ipiv[0], &info[0], batchCount);
GRID_ASSERT(st1 == CUBLAS_STATUS_SUCCESS);
deviceVector<ComplexD> work((uint64_t)batchCount*N*N);
deviceVector<ComplexD*> Cptr(batchCount);
std::vector<ComplexD*> Cptr_h(batchCount);
std::vector<ComplexD*> Aptr_h(batchCount);
for(int i=0;i<batchCount;i++) Cptr_h[i] = &work[(uint64_t)i*N*N];
acceleratorCopyToDevice(&Cptr_h[0],&Cptr[0],batchCount*sizeof(ComplexD*));
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexD*));
auto st2 = cublasZgetriBatched(Handle(), n,
(const cuDoubleComplex *const *)&Amat[0], n,
&ipiv[0],
(cuDoubleComplex **)&Cptr[0], n,
&info[0], batchCount);
GRID_ASSERT(st2 == CUBLAS_STATUS_SUCCESS);
accelerator_barrier();
std::vector<int> info_h(batchCount);
acceleratorCopyFromDevice(&info[0],&info_h[0],batchCount*sizeof(int));
for(int i=0;i<batchCount;i++) GRID_ASSERT(info_h[i]==0);
for(int i=0;i<batchCount;i++)
acceleratorCopyDeviceToDevice(Cptr_h[i],Aptr_h[i],(uint64_t)N*N*sizeof(ComplexD));
#endif
#ifdef GRID_SYCL
sycl::queue *q = Handle();
std::vector<ComplexD*> Aptr_h(batchCount);
acceleratorCopyFromDevice(&Amat[0],&Aptr_h[0],batchCount*sizeof(ComplexD*));
int64_t lwf = oneapi::mkl::lapack::getrf_scratchpad_size<std::complex<double> >(*q,N,N,N);
int64_t lwi = oneapi::mkl::lapack::getri_scratchpad_size<std::complex<double> >(*q,N,N);
deviceVector<ComplexD> scratchf(lwf);
deviceVector<ComplexD> scratchi(lwi);
deviceVector<int64_t> ipiv(N);
for(int i=0;i<batchCount;i++){
oneapi::mkl::lapack::getrf(*q,N,N,(std::complex<double>*)Aptr_h[i],N,&ipiv[0],
(std::complex<double>*)&scratchf[0],lwf);
oneapi::mkl::lapack::getri(*q,N, (std::complex<double>*)Aptr_h[i],N,&ipiv[0],
(std::complex<double>*)&scratchi[0],lwi);
}
q->wait();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
thread_for (p, batchCount, {
Eigen::Map<Eigen::MatrixXcd> eA(Amat[p],N,N);
Eigen::PartialPivLU<Eigen::MatrixXcd> lu(eA);
eA = lu.inverse();
});
#endif
}
};
NAMESPACE_END(Grid);
+73 -32
View File
@@ -53,7 +53,22 @@ class TwoLevelCG : public LinearFunction<Field>
// Fine operator, Smoother, CoarseSolver
LinearOperatorBase<Field> &_FineLinop;
LinearFunction<Field> &_Smoother;
GridStopWatch ProjectTimer;
GridStopWatch PromoteTimer;
GridStopWatch CoarseTimer;
GridStopWatch SmoothTimer;
GridStopWatch MatrixTimer;
GridStopWatch M3Timer;
GridStopWatch LinalgTimer;
int64_t M3Calls;
int64_t SmoothCalls;
int64_t MatrixCalls;
int64_t ProjectCalls;
int64_t CoarseCalls;
int64_t PromoteCalls;
// more most opertor functions
TwoLevelCG(RealD tol,
Integer maxit,
@@ -103,12 +118,20 @@ class TwoLevelCG : public LinearFunction<Field>
RealD tn;
GridStopWatch HDCGTimer;
ProjectTimer.Reset();
PromoteTimer.Reset();
CoarseTimer.Reset();
SmoothTimer.Reset();
MatrixTimer.Reset();
M3Timer.Reset();
LinalgTimer.Reset();
M3Calls = SmoothCalls = MatrixCalls = ProjectCalls = CoarseCalls = PromoteCalls = 0;
HDCGTimer.Start();
//////////////////////////
// x0 = Vstart -- possibly modify guess
//////////////////////////
Vstart(x,src);
// r0 = b -A x0
_FineLinop.HermOp(x,mmp[0]);
axpy (r, -1.0,mmp[0], src); // Recomputes r=src-Ax0
@@ -145,33 +168,40 @@ class TwoLevelCG : public LinearFunction<Field>
int peri_kp = (k+1) % mmax;
rtz=rtzp;
M3Timer.Start();
d= PcgM3(p[peri_k],mmp[peri_k]);
M3Timer.Stop();
M3Calls++;
a = rtz/d;
// Memorise this
pAp[peri_k] = d;
LinalgTimer.Start();
axpy(x,a,p[peri_k],x);
RealD rn = axpy_norm(r,-a,mmp[peri_k],r);
LinalgTimer.Stop();
// Compute z = M x
PcgM1(r,z);
{
RealD n1,n2;
n1=norm2(r);
n2=norm2(z);
std::cout << GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : vector r,z "<<n1<<" "<<n2<<"\n";
}
LinalgTimer.Start();
rtzp =real(innerProduct(r,z));
LinalgTimer.Stop();
std::cout << GridLogMessage<<"HDCG::fPcg iteration "<<k<<" : inner rtzp "<<rtzp<<"\n";
// PcgM2(z,p[0]);
PcgM2(z,mu); // ADEF-2 this is identity. Axpy possible to eliminate
p[peri_kp]=mu;
// Standard search direction p -> z + b p
// Standard search direction p -> z + b p
b = (rtzp)/rtz;
int northog;
@@ -202,8 +232,25 @@ class TwoLevelCG : public LinearFunction<Field>
if ( rn <= rsq ) {
HDCGTimer.Stop();
std::cout<<GridLogMessage<<"HDCG: fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;;
std::cout<<GridLogMessage<<"HDCG: fPcg converged in "<<k<<" iterations and "<<HDCGTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg breakdown"<<std::endl;
auto mspc = [](GridStopWatch &sw, int64_t n) -> double {
return (n > 0) ? sw.useconds() * 1e-3 / n : 0.0;
};
std::cout<<GridLogMessage<<"HDCG: fPcg M3 (fine MVM) "<<M3Timer.Elapsed()
<<" "<<M3Calls<<" calls "<<mspc(M3Timer,M3Calls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg linalg "<<LinalgTimer.Elapsed()<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg smoother "<<SmoothTimer.Elapsed()
<<" "<<SmoothCalls<<" calls "<<mspc(SmoothTimer,SmoothCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg matrix (in M1) "<<MatrixTimer.Elapsed()
<<" "<<MatrixCalls<<" calls "<<mspc(MatrixTimer,MatrixCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg project "<<ProjectTimer.Elapsed()
<<" "<<ProjectCalls<<" calls "<<mspc(ProjectTimer,ProjectCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg coarse "<<CoarseTimer.Elapsed()
<<" "<<CoarseCalls<<" calls "<<mspc(CoarseTimer,CoarseCalls)<<" ms/call"<<std::endl;
std::cout<<GridLogMessage<<"HDCG: fPcg promote "<<PromoteTimer.Elapsed()
<<" "<<PromoteCalls<<" calls "<<mspc(PromoteTimer,PromoteCalls)<<" ms/call"<<std::endl;
_FineLinop.HermOp(x,mmp[0]);
axpy(tmp,-1.0,src,mmp[0]);
@@ -475,35 +522,29 @@ class TwoLevelADEF2 : public TwoLevelCG<Field>
CoarseField PleftProj(this->coarsegrid);
CoarseField PleftMss_proj(this->coarsegrid);
GridStopWatch SmootherTimer;
GridStopWatch MatrixTimer;
SmootherTimer.Start();
this->SmoothTimer.Start();
this->_Smoother(in,Min);
SmootherTimer.Stop();
this->SmoothTimer.Stop();
this->SmoothCalls++;
MatrixTimer.Start();
this->MatrixTimer.Start();
this->_FineLinop.HermOp(Min,out);
MatrixTimer.Stop();
this->MatrixTimer.Stop();
this->MatrixCalls++;
axpy(tmp,-1.0,out,in); // tmp = in - A Min
GridStopWatch ProjTimer;
GridStopWatch CoarseTimer;
GridStopWatch PromTimer;
ProjTimer.Start();
this->_Aggregates.ProjectToSubspace(PleftProj,tmp);
ProjTimer.Stop();
CoarseTimer.Start();
this->ProjectTimer.Start();
this->_Aggregates.ProjectToSubspace(PleftProj,tmp);
this->ProjectTimer.Stop();
this->ProjectCalls++;
this->CoarseTimer.Start();
this->_CoarseSolver(PleftProj,PleftMss_proj); // Ass^{-1} [in - A Min]_s
CoarseTimer.Stop();
PromTimer.Start();
this->_Aggregates.PromoteFromSubspace(PleftMss_proj,tmp);// tmp = Q[in - A Min]
PromTimer.Stop();
std::cout << GridLogPerformance << "PcgM1 breakdown "<<std::endl;
std::cout << GridLogPerformance << "\tSmoother " << SmootherTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tProj " << ProjTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tCoarse " << CoarseTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tProm " << PromTimer.Elapsed() <<std::endl;
this->CoarseTimer.Stop();
this->CoarseCalls++;
this->PromoteTimer.Start();
this->_Aggregates.PromoteFromSubspace(PleftMss_proj,tmp);// tmp = Q[in - A Min]
this->PromoteTimer.Stop();
this->PromoteCalls++;
axpy(out,1.0,Min,tmp); // Min+tmp
}
+11 -7
View File
@@ -212,13 +212,17 @@ public:
<< "\tTarget " << Tolerance << std::endl;
// std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver Elapsed " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "Time breakdown "<<std::endl;
std::cout << GridLogPerformance << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\tLinalg " << LinalgTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tInner " << InnerTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tAxpyNorm " << AxpyNormTimer.Elapsed() <<std::endl;
std::cout << GridLogPerformance << "\t\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tPreamble " << PreambleTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tConstruct " << ConstructTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tNorm " << NormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tAssign " << AssignTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tSolver " << SolverTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "Solver breakdown "<<std::endl;
std::cout << GridLogMessage << "\tMatrix " << MatrixTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\tLinalg " << LinalgTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tInner " << InnerTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tAxpyNorm " << AxpyNormTimer.Elapsed() <<std::endl;
std::cout << GridLogMessage << "\t\tLinearComb " << LinearCombTimer.Elapsed() <<std::endl;
std::cout << GridLogDebug << "\tMobius flop rate " << DwfFlops/ usecs<< " Gflops " <<std::endl;
@@ -236,4 +236,5 @@ public:
}
};
NAMESPACE_END(Grid);
#undef GCRLogLevel
#endif
@@ -38,13 +38,14 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
///////////////////////////////////////////////////////////////////////////////////////////////////////
NAMESPACE_BEGIN(Grid);
#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< " Level "<<level<<" "
#define GCRLogLevel std::cout << GridLogMessage <<std::string(level,'\t')<< name<<" "
template<class Field>
class PrecGeneralisedConjugateResidualNonHermitian : public LinearFunction<Field> {
public:
using LinearFunction<Field>::operator();
RealD Tolerance;
RealD SSQ;
Integer MaxIterations;
int verbose;
int mmax;
@@ -54,11 +55,18 @@ public:
GridStopWatch PrecTimer;
GridStopWatch MatTimer;
GridStopWatch LinalgTimer;
std::string name;
int ZeroGuess = 0; // caller contract: guess is always zero => first-cycle r0 = src, skip the apply
int FirstCycle = 0;
LinearFunction<Field> &Preconditioner;
LinearOperatorBase<Field> &Linop;
void Level(int lv) { level=lv; };
void Name(std::string _name) { name = _name; };
void Level(int n) { Name("Level " + std::to_string(n)); level = n; }
void SetZeroGuess(int z) { ZeroGuess = z; };
PrecGeneralisedConjugateResidualNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,LinearFunction<Field> &Prec,int _mmax,int _nstep) :
Tolerance(tol),
@@ -67,8 +75,8 @@ public:
Preconditioner(Prec),
mmax(_mmax),
nstep(_nstep)
{
level=1;
{
Level(1);
verbose=1;
};
@@ -77,6 +85,7 @@ public:
// psi=Zero();
RealD cp, ssq,rsq;
ssq=norm2(src);
SSQ=ssq;
rsq=Tolerance*Tolerance*ssq;
Field r(src.Grid());
@@ -89,11 +98,12 @@ public:
SolverTimer.Start();
steps=0;
FirstCycle=1;
for(int k=0;k<MaxIterations;k++){
cp=GCRnStep(src,psi,rsq);
GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<cp<<" target "<<rsq <<std::endl;
GCRLogLevel <<"PGCR("<<mmax<<","<<nstep<<") "<< steps <<" steps cp = "<<sqrt(cp/ssq)<<" target "<<sqrt(rsq/ssq) <<std::endl;
if(cp<rsq) {
@@ -142,21 +152,25 @@ public:
GCRLogLevel<< "PGCR nStep("<<nstep<<")"<<std::endl;
//////////////////////////////////
// initial guess x0 is taken as nonzero.
// r0=src-A x0 = src
// r0 = src - A x0. ZeroGuess: on the first cycle x0==0 by caller
// contract (enforced here), so r0 = src exactly; skip the apply.
// Restart cycles (psi!=0) always do the full computation.
//////////////////////////////////
MatTimer.Start();
Linop.Op(psi,Az);
// zAz = innerProduct(Az,psi);
zAAz= norm2(Az);
MatTimer.Stop();
if (ZeroGuess && FirstCycle) {
psi = Zero();
LinalgTimer.Start();
r = src;
LinalgTimer.Stop();
} else {
MatTimer.Start();
Linop.Op(psi,Az);
MatTimer.Stop();
LinalgTimer.Start();
r=src-Az;
LinalgTimer.Stop();
}
FirstCycle=0;
LinalgTimer.Start();
r=src-Az;
LinalgTimer.Stop();
GCRLogLevel<< "PGCR true residual r = src - A psi "<<norm2(r) <<std::endl;
/////////////////////
// p = Prec(r)
/////////////////////
@@ -181,6 +195,7 @@ public:
cp =norm2(r);
LinalgTimer.Stop();
GCRLogLevel<< "PGCR true residual "<< sqrt(cp/SSQ) <<std::endl;
for(int k=0;k<nstep;k++){
@@ -199,13 +214,12 @@ public:
cp = axpy_norm(r,-a,q[peri_k],r);
LinalgTimer.Stop();
GCRLogLevel<< "PGCR step["<<steps<<"] resid " << cp << " target " <<rsq<<std::endl;
GCRLogLevel<< "PGCR step["<<steps<<"] resid " << sqrt(cp/SSQ)<<std::endl;
if((k==nstep-1)||(cp<rsq)){
return cp;
}
PrecTimer.Start();
Preconditioner(r,z);// solve Az = r
PrecTimer.Stop();
@@ -239,4 +253,6 @@ public:
}
};
NAMESPACE_END(Grid);
#undef GCRLogLevel
#endif
+24 -4
View File
@@ -66,7 +66,21 @@ public:
{
};
void GlobalOrthonormalise(void)
{
// Normalise all vectors
for(int i=0;i<nbasis; i++){
RealD scale = std::pow(norm2(subspace[i]),-0.5);
subspace[i] = subspace[i]*scale;
}
for(int i=0;i<nbasis; i++){
for(int j=0;j<i; j++){
basisOrthogonalize(subspace,subspace[i],j);
}
RealD scale = std::pow(norm2(subspace[i]),-0.5);
subspace[i] = subspace[i]*scale;
}
}
void Orthogonalise(void){
CoarseScalar InnerProd(CoarseGrid);
// std::cout << GridLogMessage <<" Block Gramm-Schmidt pass 1"<<std::endl;
@@ -110,14 +124,16 @@ public:
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "noise ["<<b<<"] <n|MdagM|n> "<<norm2(Mn)<<std::endl;
for(int i=0;i<4;i++){
for(int i=0;i<2;i++){
CG(hermop,noise,subspace[b]);
noise = subspace[b];
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "intermediate["<<i<<"] <i|MdagM|i> "<<norm2(Mn)<<std::endl;
}
hermop.Op(noise,Mn); std::cout<<GridLogMessage << "filtered["<<b<<"] <f|MdagM|f> "<<norm2(Mn)<<std::endl;
@@ -134,7 +150,8 @@ public:
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,10,DiracOp,simple_fine,30,30);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,10,DiracOp,simple_fine,12,12);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,30,DiracOp,simple_fine,12,12);
PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.001,30,DiracOp,simple_fine,10,10);
// PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.0005,30,DiracOp,simple_fine,20,20);
PrecGeneralisedConjugateResidualNonHermitian<FineField> GCR(0.0005,30,DiracOp,simple_fine,10,10);
FineField noise(FineGrid);
FineField src(FineGrid);
FineField guess(FineGrid);
@@ -167,6 +184,8 @@ public:
noise = subspace[b];
scale = std::pow(norm2(noise),-0.5);
noise=noise*scale;
DiracOp.Op(noise,Mn); std::cout<<GridLogMessage << "intermediate["<<i<<"] <f|Op|f> "<<innerProduct(noise,Mn)<<" <f|OpDagOp|f>"<<norm2(Mn)<<std::endl;
}
@@ -174,6 +193,7 @@ public:
subspace[b] = noise;
}
GlobalOrthonormalise();
}
////////////////////////////////////////////////////////////////////////////////////////////////
@@ -0,0 +1,702 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/algorithms/multigrid/DenseCoarseMatrix.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <Grid/algorithms/blas/BatchedBlas.h>
#include <Grid/algorithms/blas/BatchedInverse.h>
#include <unordered_map>
NAMESPACE_BEGIN(Grid);
//////////////////////////////////////////////////////////////////////////////////////
// DenseCoarseMatrix: a coarsened operator treated as a DENSE matrix -- explicit,
// row-distributed A^{-1} of a GeneralCoarsenedMatrix. Library-grade successor of
// the example-local DistributedDenseInverse (Example_pvdagm_mrhs_3level_dense.cc,
// FROZEN as the regression baseline).
//
// What is new versus the example class:
// - Stencil -> dense DIRECT IMPORT. The coarse operator IS the dense matrix
// unrolled: Dense[(s,a),(s+shift_p,b)] += A[p][s]_{a,b}. Rows of my sites are
// assembled from purely LOCAL _A[p] data: no operator applies, no comms -- the
// O(N) probe assembly (93 s at N=69120) is retired. ACCUMULATE (+=) because on
// short axes distinct shifts wrap to the same neighbour. An IMPORT CERTIFICATE
// compares the dense apply against Op.M on a NON-CONSTANT vector (a constant one
// cannot see a shift-sign error); DENSE_IMPORT_SIGN=-1 flips the convention
// without recompiling.
// - Split-K apply through GridBLAS.gemmBatched with EXPLICIT leading dimensions
// (arXiv:2409.03904 fig 11): the tiny-output/huge-K GEMM Y = slab^T X becomes
// DENSE_SPLITK chunk-GEMMs by pointer offset into the resident slab (lda = N),
// partials reduced in one accelerator_for. Platform-agnostic: deviceVector +
// GridBLAS run the SAME code on HIP/CUDA/SYCL and CPU(Eigen).
// - deviceVector everywhere in the apply path; the ONE surviving naked-HIP block
// is the boss inversion buffer (quarantined below, documented).
//
// Setup: SLAB_FILE=<stem> loads per-rank <stem>.<rank> (header-guarded N/nrows/
// nbasis -- the interchange format shared with the frozen example; the STEM must
// encode cfg/mass/blocking/nbasis, only the header is guarded). Absent: direct
// import -> import certificate -> chunked zero-fill+GlobalSum gather streamed to
// the boss GCD -> cgetrf_64 (ILP64) -> rows of A^{-1} via blocked identity
// cgetrs_64 + broadcast, each rank keeping the rows of its own sites -> save.
// VERIFY ||A Ainv x - x||/||x|| runs in BOTH paths (and now certifies the DEVICE
// slab + split-K path, since the single-RHS apply routes through the same core).
//
// Env: SLAB_FILE DENSE_SPLITK (default 32, snapped to a divisor of N)
// DENSE_DEVICE_SUM DENSE_IMPORT_SIGN DENSE_APPLY_PROFILE DENSE_CC_CHECK
//
// Eventual internal upgrade (unchanged surface): RecursiveSchur distributed
// factorisation replacing the single-GCD gather/invert, lifting BOTH the fp32
// N ~ 90k boss-HBM ceiling AND the CC-grid 256-rank SIMD cap; leaves land on
// GridBLASInverse::inverseBatched.
//
// Tensor-depth agnostic: site scalar objects treated as contiguous ComplexD
// (iScalar wrappers add no data), so any MG level's coarse operator imports.
//////////////////////////////////////////////////////////////////////////////////////
template<class Fobj,class CComplex,int nbasis>
class DenseCoarseMatrix : public LinearFunction<typename GeneralCoarsenedMatrix<Fobj,CComplex,nbasis>::CoarseVector> {
public:
typedef GeneralCoarsenedMatrix<Fobj,CComplex,nbasis> GeneralCoarseOp;
typedef typename GeneralCoarseOp::CoarseVector Field;
typedef typename GeneralCoarseOp::CoarseMatrix CoarseMatrix;
using LinearFunction<Field>::operator();
typedef typename Field::vector_object vobj;
typedef typename vobj::scalar_object sobj;
typedef typename CoarseMatrix::vector_object Mvobj;
typedef typename Mvobj::scalar_object Msobj;
GeneralCoarseOp &_Op; // the coarse operator: stencil source + certificate oracle
GridBase *grid;
int nd;
int64_t N; // dense rank = gSites * nbasis
int lsites; // my local sites
int64_t nrows; // my rows = lsites * nbasis
std::vector<Coordinate> myLcoor; // local coordinate of my site ss
std::vector<int64_t> myGsite; // global lex site index of my site ss
std::vector<ComplexF> slab; // nrows x N row-major: A during setup, rows of A^{-1} after
static const int64_t CHUNKROWS = 1024; // getrs harvest block (trsm efficiency + fewer broadcasts)
static const int MRHS_MAX = 32;
// Apply machinery: resident slab + persistent buffers + AOT split-K pointers.
GridBLAS BLAS;
deviceVector<ComplexF> dSlab;
deviceVector<ComplexF> dX; // N x MRHS_MAX
deviceVector<ComplexF> dY; // nrows x MRHS_MAX
deviceVector<ComplexF> dPartial; // NK x (nrows x MRHS_MAX)
deviceVector<ComplexF*> aptrs; // slab K-chunk pointers (lda = N)
deviceVector<ComplexF*> xptrs; // X K-chunk pointers (ldb = N)
deviceVector<ComplexF*> cptrs; // partial buffers (ldc = nrows)
std::vector<ComplexF> hX;
std::vector<ComplexF> hY;
int NK; // split-K chunk count (divides N)
int devSum;
DenseCoarseMatrix(GeneralCoarseOp &Op, GridBase *g)
: _Op(Op), grid(g)
{
GRID_ASSERT( sizeof(sobj) == nbasis*sizeof(ComplexD) );
GRID_ASSERT( sizeof(Msobj) == nbasis*nbasis*sizeof(ComplexD) );
GRID_ASSERT( grid == Op.Grid() );
nd = grid->_ndimension;
N = grid->gSites() * nbasis;
lsites = grid->lSites();
nrows = (int64_t)lsites * nbasis;
std::cout << GridLogMessage << "DenseCoarseMatrix: N = " << N
<< " (" << grid->gSites() << " sites x " << nbasis << ")"
<< " rows/rank = " << nrows
<< " slab = " << (double)nrows*N*sizeof(ComplexF)/1024./1024. << " MB/rank"
<< std::endl;
////////////////////////////////////////////////////////////////////
// Enumerate my sites: local coords and global lexicographic indices
////////////////////////////////////////////////////////////////////
Coordinate ldims = grid->LocalDimensions();
Coordinate gdims = grid->GlobalDimensions();
myLcoor.resize(lsites);
myGsite.resize(lsites);
for(int ss=0; ss<lsites; ss++){
Coordinate lcoor(nd);
Lexicographic::CoorFromIndex(lcoor, ss, ldims);
Coordinate gcoor(nd);
for(int d=0; d<nd; d++) gcoor[d] = grid->_lstart[d] + lcoor[d];
int64_t gsite;
Lexicographic::IndexFromCoor(gcoor, gsite, gdims);
myLcoor[ss] = lcoor;
myGsite[ss] = gsite;
}
slab.resize((uint64_t)nrows * N);
double t0 = usecond();
////////////////////////////////////////////////////////////////////
// 0. Slab cache: SLAB_FILE=<stem> -> per-rank raw file <stem>.<rank>.
// SAME format as the frozen example (interchange compatible).
////////////////////////////////////////////////////////////////////
bool loaded = false;
char *sfile = getenv("SLAB_FILE");
std::string slabfile;
if (sfile) {
slabfile = std::string(sfile) + "." + std::to_string(grid->ThisRank());
FILE *f = fopen(slabfile.c_str(),"rb");
if (f) {
int64_t hdr[4] = {0,0,0,0};
GRID_ASSERT( fread(hdr,sizeof(int64_t),4,f) == 4 );
GRID_ASSERT( hdr[0] == (int64_t)0x44454E5345 ); // magic "DENSE"
GRID_ASSERT( hdr[1] == N && hdr[2] == (int64_t)nrows && hdr[3] == (int64_t)nbasis );
uint64_t nelem = (uint64_t)nrows * N;
GRID_ASSERT( fread(&slab[0], sizeof(ComplexF), nelem, f) == nelem );
fclose(f);
loaded = true;
std::cout << GridLogMessage << "DenseCoarseMatrix: slab loaded from "
<< slabfile << " -- skipping import/factor/solve" << std::endl;
} else {
std::cout << GridLogMessage << "DenseCoarseMatrix: slab cache " << slabfile
<< " absent -- full setup, will write it" << std::endl;
}
}
if (!loaded) {
ImportDense(); // slab <- my rows of A (LOCAL, no comms)
ImportCertificate(); // dense apply == Op.M on a non-constant vector
InvertDense(); // slab <- my rows of A^{-1}
double t1 = usecond();
if (sfile) {
FILE *f = fopen(slabfile.c_str(),"wb");
GRID_ASSERT(f != nullptr);
int64_t hdr[4] = { (int64_t)0x44454E5345, N, (int64_t)nrows, (int64_t)nbasis };
GRID_ASSERT( fwrite(hdr,sizeof(int64_t),4,f) == 4 );
uint64_t nelem = (uint64_t)nrows * N;
GRID_ASSERT( fwrite(&slab[0], sizeof(ComplexF), nelem, f) == nelem );
fclose(f);
std::cout << GridLogMessage << "DenseCoarseMatrix: slab written to " << slabfile << std::endl;
}
std::cout << GridLogMessage << "DenseCoarseMatrix: import+invert took "
<< (t1-t0)/1.0e6 << " s" << std::endl;
}
////////////////////////////////////////////////////////////////////
// Device residency + persistent apply buffers + AOT split-K pointers
////////////////////////////////////////////////////////////////////
{
uint64_t sbytes = (uint64_t)nrows * N * sizeof(ComplexF);
dSlab.resize((uint64_t)nrows*N);
acceleratorCopyToDevice(&slab[0],&dSlab[0],sbytes);
// DENSE_SPLITK: requested chunk count, snapped DOWN to a divisor of N.
int req = getenv("DENSE_SPLITK") ? atoi(getenv("DENSE_SPLITK")) : 32;
if (req < 1) req = 1;
NK = 1;
for(int j=1;j<=req;j++) if ( (N % j) == 0 ) NK = j;
int64_t Kc = N / NK;
dX.resize((uint64_t)N*MRHS_MAX);
dY.resize((uint64_t)nrows*MRHS_MAX);
dPartial.resize((uint64_t)NK*nrows*MRHS_MAX);
hX.resize((uint64_t)N*MRHS_MAX);
hY.resize((uint64_t)nrows*MRHS_MAX);
aptrs.resize(NK); xptrs.resize(NK); cptrs.resize(NK);
std::vector<ComplexF*> h(NK);
for(int j=0;j<NK;j++) h[j] = &dSlab[0] + (uint64_t)j*Kc; // K-offset, lda=N
acceleratorCopyToDevice(&h[0],&aptrs[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &dX[0] + (uint64_t)j*Kc; // K-offset, ldb=N
acceleratorCopyToDevice(&h[0],&xptrs[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &dPartial[0] + (uint64_t)j*nrows*MRHS_MAX; // compact, ldc=nrows
acceleratorCopyToDevice(&h[0],&cptrs[0],NK*sizeof(ComplexF*));
devSum = getenv("DENSE_DEVICE_SUM") ? 1 : 0;
std::cout << GridLogMessage << "DenseCoarseMatrix: slab resident on device ("
<< sbytes/1024./1024. << " MB/rank), split-K NK=" << NK << " (Kc=" << Kc << "); "
<< (devSum ? "DEVICE-buffer allreduce (GPU-aware MPI)" : "host allreduce")
<< std::endl;
}
////////////////////////////////////////////////////////////////////
// VERIFY: || A (Ainv x) - x || / ||x|| through the DEVICE split-K core.
////////////////////////////////////////////////////////////////////
{
Field x(grid); Field y(grid); Field z(grid);
x = ComplexD(1.0,0.0);
double ta = usecond();
(*this)(x, y);
double tb = usecond();
_Op.M(y, z);
z = z - x;
RealD rel = std::sqrt(norm2(z)/norm2(x));
std::cout << GridLogMessage << "DenseCoarseMatrix: VERIFY ||A Ainv x - x||/||x|| = "
<< rel << " (one apply took " << (tb-ta)/1000.0 << " ms)" << std::endl;
GRID_ASSERT(rel < 1.0e-2);
}
std::cout << GridLogMessage << "DenseCoarseMatrix: setup complete, total "
<< (usecond()-t0)/1.0e6 << " s" << std::endl;
}
////////////////////////////////////////////////////////////////////
// 1. Direct stencil -> dense import of MY ROWS of A (no comms):
// Dense[(s,a),(wrap(s+shift_p),b)] += A[p][s]_{a,b}
////////////////////////////////////////////////////////////////////
void ImportDense(void)
{
double t = -usecond();
Coordinate gdims = grid->GlobalDimensions();
int sign = getenv("DENSE_IMPORT_SIGN") ? atoi(getenv("DENSE_IMPORT_SIGN")) : 1;
GRID_ASSERT( sign==1 || sign==-1 );
uint64_t nelem = (uint64_t)nrows * N;
thread_for(i, nelem, { slab[i] = ComplexF(0.0,0.0); });
for(int p=0; p<_Op.geom.npoint; p++){
Coordinate shift = _Op.geom.shifts[p];
autoView(Av, _Op._A[p], CpuRead);
thread_for(ss, lsites, {
Coordinate ncoor(nd);
for(int d=0; d<nd; d++){
int64_t g = grid->_lstart[d] + myLcoor[ss][d] + sign*shift[d];
ncoor[d] = (int)((g % gdims[d] + gdims[d]) % gdims[d]);
}
int64_t nsite;
Lexicographic::IndexFromCoor(ncoor, nsite, gdims);
Msobj m;
peekLocalSite(m, Av, myLcoor[ss]);
ComplexD *md = (ComplexD *)&m;
for(int a=0; a<nbasis; a++){
ComplexF *row = &slab[(uint64_t)(ss*nbasis+a)*N + nsite*nbasis];
for(int b=0; b<nbasis; b++)
row[b] += ComplexF(md[a*nbasis+b]); // += : wrapped shifts may collide
}
});
}
t += usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: stencil->dense import took "
<< t/1.0e6 << " s (" << _Op.geom.npoint << " points, local, no comms)" << std::endl;
}
////////////////////////////////////////////////////////////////////
// 2. IMPORT CERTIFICATE: dense rows vs Op.M on a NON-CONSTANT vector.
// (Constant x has x[s+d]==x[s-d]: blind to a shift-sign error.)
////////////////////////////////////////////////////////////////////
void ImportCertificate(void)
{
Field x(grid); Field Ax(grid); Field Dx(grid);
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++){
double ph = 0.37*(double)(myGsite[ss]*nbasis+b);
((ComplexD *)&s)[b] = ComplexD(std::cos(ph),std::sin(0.61*ph));
}
pokeLocalSite(s, x, myLcoor[ss]);
}
// gather full x (zero-fill + exact GlobalSum), dense rows on host
std::vector<ComplexD> xh((uint64_t)N, ComplexD(0.0,0.0));
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, x, myLcoor[ss]);
for(int b=0; b<nbasis; b++) xh[ myGsite[ss]*nbasis + b ] = ((ComplexD *)&s)[b];
}
grid->GlobalSumVector(&xh[0], (int)N);
std::vector<ComplexD> yh(nrows);
thread_for(r, nrows, {
ComplexD acc(0.0,0.0);
const ComplexF *row = &slab[(uint64_t)r * N];
for(int64_t j=0; j<N; j++) acc += ComplexD(row[j]) * xh[j];
yh[r] = acc;
});
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++) ((ComplexD *)&s)[b] = yh[ss*nbasis+b];
pokeLocalSite(s, Dx, myLcoor[ss]);
}
_Op.M(x, Ax);
Field d(grid); d = Dx - Ax;
RealD rel = std::sqrt(norm2(d)/norm2(Ax));
std::cout << GridLogMessage << "DenseCoarseMatrix: IMPORT CERTIFICATE ||Dense x - A x||/||A x|| = "
<< rel << std::endl;
if ( rel >= 1.0e-3 ) {
std::cout << GridLogMessage << "DenseCoarseMatrix: IMPORT CERTIFICATE FAILED. If O(1), the "
<< "stencil shift-sign convention is opposite: rerun with DENSE_IMPORT_SIGN=-1"
<< std::endl;
}
GRID_ASSERT(rel < 1.0e-3);
}
////////////////////////////////////////////////////////////////////
// 3. Invert: chunked zero-fill+GlobalSum gather of A streamed to the
// boss GCD, cgetrf_64 (ILP64), rows of A^{-1} by blocked identity
// cgetrs_64 + broadcast; each rank keeps its own rows (in `slab`,
// overwriting A). Ported proven path from the frozen example.
////////////////////////////////////////////////////////////////////
void InvertDense(void)
{
double t1 = usecond();
int boss = grid->IsBoss();
std::vector<ComplexF> Afull;
#ifdef GRID_HIP
// QUARANTINED naked HIP: the boss-only N^2 inversion buffer (34GB at
// N=65536) must come from raw HBM; EvictAll flushes the device-copy
// layer to make the window. (FreePool of the allocator free-list
// awaits the type-dispatched fix.) Confined to setup; the apply path
// is pure Grid primitives.
rocblas_float_complex *dA = nullptr;
rocblas_float_complex *dB = nullptr;
int64_t *dIpiv = nullptr;
uint64_t Abytes = (uint64_t)N * N * sizeof(ComplexF);
MemoryManager::EvictAll();
if (boss) {
auto aerr = hipMalloc((void **)&dA, Abytes);
if (aerr != hipSuccess) {
std::cout << GridLogMessage << "DenseCoarseMatrix: hipMalloc of "
<< Abytes/1024./1024./1024. << " GB FAILED -- reduce --device-mem" << std::endl;
GRID_ASSERT(aerr == hipSuccess);
}
std::cout << GridLogMessage << "DenseCoarseMatrix: device inversion buffer allocated ("
<< Abytes/1024./1024./1024. << " GB)" << std::endl;
}
#else
if (boss) Afull.resize((uint64_t)N * N);
#endif
{
std::unordered_map<int64_t,int> rowmap; // global row -> my slab row
for(int ss=0; ss<lsites; ss++)
for(int a=0; a<nbasis; a++)
rowmap[ myGsite[ss]*nbasis + a ] = ss*nbasis + a;
std::vector<ComplexF> chunk((uint64_t)CHUNKROWS * N);
for(int64_t row0=0; row0<N; row0+=CHUNKROWS){
int64_t nrow = std::min(CHUNKROWS, N-row0);
uint64_t nelem = (uint64_t)nrow * N;
for(uint64_t i=0;i<nelem;i++) chunk[i]=ComplexF(0.0,0.0);
for(int64_t r=row0; r<row0+nrow; r++){
auto it = rowmap.find(r);
if (it != rowmap.end()) {
uint64_t src = (uint64_t)(it->second) * N;
uint64_t dst = (uint64_t)(r-row0) * N;
for(int64_t j=0;j<N;j++) chunk[dst+j] = slab[src+j];
}
}
grid->GlobalSumVector(&chunk[0], (int)nelem);
if (boss) {
#ifdef GRID_HIP
GRID_ASSERT( hipMemcpy((char *)dA + (uint64_t)row0*N*sizeof(ComplexF),
&chunk[0], nelem*sizeof(ComplexF),
hipMemcpyHostToDevice) == hipSuccess );
#else
uint64_t dst = (uint64_t)row0 * N;
for(uint64_t i=0;i<nelem;i++) Afull[dst+i] = chunk[i];
#endif
}
}
}
double t2 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: gather to boss took "
<< (t2-t1)/1.0e6 << " s" << std::endl;
////////////////////////////////////////////////////////////////////
// Factor in place on the boss (fp32, ILP64). Row-major buffer handed
// to column-major LAPACK => LU of A^T.
////////////////////////////////////////////////////////////////////
if (boss) {
#ifdef GRID_HIP
std::cout << GridLogMessage << "DenseCoarseMatrix: rocSOLVER cgetrf_64 (ILP64 LU) N=" << N
<< " in place on resident device buffer" << std::endl;
rocblas_handle handle = GridBLASInverse::Handle();
int64_t *dInfo;
GRID_ASSERT( hipMalloc((void **)&dIpiv, N*sizeof(int64_t)) == hipSuccess );
GRID_ASSERT( hipMalloc((void **)&dInfo, sizeof(int64_t)) == hipSuccess );
auto st1 = rocsolver_cgetrf_64(handle, (int64_t)N, (int64_t)N, dA, (int64_t)N, dIpiv, dInfo);
hipDeviceSynchronize();
int64_t info_h = -1;
hipMemcpy(&info_h, dInfo, sizeof(int64_t), hipMemcpyDeviceToHost);
std::cout << GridLogMessage << "DenseCoarseMatrix: cgetrf_64 status " << (int)st1
<< " info = " << (int)info_h << std::endl;
GRID_ASSERT(st1 == rocblas_status_success);
GRID_ASSERT(info_h == 0);
hipFree(dInfo);
GRID_ASSERT( hipMalloc((void **)&dB, (uint64_t)CHUNKROWS*N*sizeof(ComplexF)) == hipSuccess );
// dA holds the LU of A^T; rows of A^{-1} are produced blockwise below via
// cgetrs_64 on identity-column blocks: A^T X = E => X columns = rows of
// A^{-1}, in exactly the linear layout the harvest expects.
#else
// Eigen fallback: small local CPU tests only.
std::cout << GridLogMessage << "DenseCoarseMatrix: Eigen fallback inversion N=" << N
<< (N > 10000 ? " (WARNING: SLOW; use the HIP/rocSOLVER path)" : "")
<< std::endl;
typedef Eigen::Matrix<std::complex<float>,Eigen::Dynamic,Eigen::Dynamic,Eigen::RowMajor> MatF;
Eigen::Map<MatF> A(reinterpret_cast<std::complex<float>*>(&Afull[0]), N, N);
MatF Ainv = A.inverse();
A = Ainv;
#endif
}
double t3 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: factorisation took "
<< (t3-t2)/1.0e6 << " s" << std::endl;
////////////////////////////////////////////////////////////////////
// Blocked solve + broadcast: rows of A^{-1} chunk by chunk; each
// rank keeps the rows of its own sites (ownership-aligned).
////////////////////////////////////////////////////////////////////
{
std::unordered_map<int64_t,int> rowmap;
for(int ss=0; ss<lsites; ss++)
for(int a=0; a<nbasis; a++)
rowmap[ myGsite[ss]*nbasis + a ] = ss*nbasis + a;
std::vector<ComplexF> chunk((uint64_t)CHUNKROWS * N);
for(int64_t row0=0; row0<N; row0+=CHUNKROWS){
int64_t nrow = std::min(CHUNKROWS, N-row0);
uint64_t nelem = (uint64_t)nrow * N;
if (boss) {
#ifdef GRID_HIP
// Identity block E: column j = e_{row0+j}; solve A^T X = E so X's
// columns are rows [row0,row0+nrow) of A^{-1}.
for(uint64_t i=0;i<nelem;i++) chunk[i] = ComplexF(0.0,0.0);
for(int64_t j=0;j<nrow;j++) chunk[(uint64_t)j*N + (uint64_t)(row0+j)] = ComplexF(1.0,0.0);
GRID_ASSERT( hipMemcpy(dB, &chunk[0], nelem*sizeof(ComplexF), hipMemcpyHostToDevice) == hipSuccess );
auto strs = rocsolver_cgetrs_64(GridBLASInverse::Handle(), rocblas_operation_none,
(int64_t)N, (int64_t)nrow,
dA, (int64_t)N, dIpiv, dB, (int64_t)N);
GRID_ASSERT(strs == rocblas_status_success);
hipDeviceSynchronize();
GRID_ASSERT( hipMemcpy(&chunk[0], dB, nelem*sizeof(ComplexF), hipMemcpyDeviceToHost) == hipSuccess );
#else
uint64_t src = (uint64_t)row0 * N;
for(uint64_t i=0;i<nelem;i++) chunk[i] = Afull[src+i];
#endif
}
grid->Broadcast(0, &chunk[0], nelem*sizeof(ComplexF));
for(int64_t r=row0; r<row0+nrow; r++){
auto it = rowmap.find(r);
if (it != rowmap.end()) {
uint64_t dst = (uint64_t)(it->second) * N;
uint64_t src = (uint64_t)(r-row0) * N;
for(int64_t j=0;j<N;j++) slab[dst+j] = chunk[src+j];
}
}
}
}
#ifdef GRID_HIP
if (boss) {
if (dA) hipFree(dA);
if (dB) hipFree(dB);
if (dIpiv) hipFree(dIpiv);
}
#endif
double t4 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: blocked getrs solve+scatter took "
<< (t4-t3)/1.0e6 << " s" << std::endl;
}
////////////////////////////////////////////////////////////////////
// CORE apply on packed data: hX[N x nr] (zero-filled, my sites only)
// -> allreduce -> split-K GEMM against the resident slab -> reduce
// partials -> hY[nrows x nr] (column major). Platform-agnostic:
// deviceVector + GridBLAS (Eigen fallback on CPU builds).
// fp32 allreduce is EXACT: zero-fill assembly gives every element
// exactly one contributing rank.
////////////////////////////////////////////////////////////////////
void SlabApplyPacked(int nr, double *tprof)
{
GRID_ASSERT(nr <= MRHS_MAX);
uint64_t nX = (uint64_t)N * nr;
uint64_t nY = (uint64_t)nrows * nr;
int64_t Kc = N / NK;
double t1 = usecond();
double t2, t3;
if (devSum) {
acceleratorCopyToDevice(&hX[0],&dX[0],nX*sizeof(ComplexF));
t2 = usecond();
grid->GlobalSumVector((ComplexF *)&dX[0], (int)nX);
t3 = usecond();
} else {
grid->GlobalSumVector(&hX[0], (int)nX);
t2 = usecond();
acceleratorCopyToDevice(&hX[0],&dX[0],nX*sizeof(ComplexF));
t3 = usecond();
}
// Y = op(slab,T) . X : row-major slab (nrows x N) == col-major A^T
// (N x nrows, lda=N) => transpose gives the nrows x N operator.
// Split-K: NK chunk-GEMMs by pointer offset (AOT lists), then reduce.
ComplexF one (1.0,0.0);
ComplexF zero(0.0,0.0);
BLAS.gemmBatched(GridBLAS_OP_T, GridBLAS_OP_N,
(int)nrows, nr, (int)Kc,
one, aptrs, (int)N,
xptrs, (int)N,
zero, cptrs, (int)nrows);
BLAS.synchronise();
{
ComplexF *pp = &dPartial[0];
ComplexF *py = &dY[0];
uint64_t stride = (uint64_t)nrows*MRHS_MAX;
int nk = NK;
accelerator_for(i, nY, 1, {
ComplexF acc(0.0,0.0);
for(int j=0;j<nk;j++) acc += pp[(uint64_t)j*stride + i];
py[i] = acc;
});
}
double t4 = usecond();
acceleratorCopyFromDevice(&dY[0],&hY[0],nY*sizeof(ComplexF));
double t5 = usecond();
if (tprof) {
tprof[0] = devSum ? (t3-t2) : (t2-t1); // allreduce
tprof[1] = devSum ? (t2-t1) : (t3-t2); // H2D
tprof[2] = t4-t3; // gemm+reduce
tprof[3] = t5-t4; // D2H
}
}
////////////////////////////////////////////////////////////////////
// Single-RHS apply (also the VERIFY path => certifies device slab).
////////////////////////////////////////////////////////////////////
virtual void operator()(const Field &src, Field &psi)
{
uint64_t nX = (uint64_t)N;
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, src, myLcoor[ss]);
for(int b=0; b<nbasis; b++)
hX[ myGsite[ss]*nbasis + b ] = ComplexF(((ComplexD *)&s)[b]);
}
SlabApplyPacked(1, nullptr);
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++)
((ComplexD *)&s)[b] = ComplexD(hY[ss*nbasis + b]);
pokeLocalSite(s, psi, myLcoor[ss]);
}
if ( getenv("DENSE_CC_CHECK") ) {
Field tmp(grid);
_Op.M(psi, tmp);
tmp = tmp - src;
std::cout << GridLogMessage << "DenseCoarseMatrix: apply defect ||A x - b||/||b|| = "
<< std::sqrt(norm2(tmp)/norm2(src)) << std::endl;
}
}
////////////////////////////////////////////////////////////////////
// Batched (vector-of-fields) apply.
////////////////////////////////////////////////////////////////////
void ApplyBatch(std::vector<Field> &src, std::vector<Field> &psi)
{
int nr = src.size();
GRID_ASSERT(nr <= MRHS_MAX);
double t0 = usecond();
uint64_t nX = (uint64_t)N*nr;
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
for(int rr=0; rr<nr; rr++){
for(int ss=0; ss<lsites; ss++){
sobj s;
peekLocalSite(s, src[rr], myLcoor[ss]);
for(int b=0; b<nbasis; b++)
hX[ (uint64_t)rr*N + myGsite[ss]*nbasis + b ] = ComplexF(((ComplexD *)&s)[b]);
}
}
SlabApplyPacked(nr, nullptr);
for(int rr=0; rr<nr; rr++){
for(int ss=0; ss<lsites; ss++){
sobj s;
for(int b=0; b<nbasis; b++)
((ComplexD *)&s)[b] = ComplexD(hY[(uint64_t)rr*nrows + (ss*nbasis+b)]);
pokeLocalSite(s, psi[rr], myLcoor[ss]);
}
}
double t1 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: batched apply " << nr << " rhs took "
<< (t1-t0)/1000.0 << " ms (" << (t1-t0)/1000.0/nr << " ms/rhs)" << std::endl;
if ( getenv("DENSE_CC_CHECK") ) {
Field tmp(grid);
for(int rr=0; rr<nr; rr++){
_Op.M(psi[rr], tmp);
tmp = tmp - src[rr];
std::cout << GridLogMessage << "DenseCoarseMatrix: batch defect["<<rr<<"] = "
<< std::sqrt(norm2(tmp)/norm2(src[rr])) << std::endl;
}
}
}
////////////////////////////////////////////////////////////////////
// 6D mrhs apply: operates DIRECTLY on the packed 6D field (rhs = dim 0).
////////////////////////////////////////////////////////////////////
void ApplyBatch6D(const Field &in6, Field &out6, int nr)
{
GRID_ASSERT(nr <= MRHS_MAX);
GRID_ASSERT(in6.Grid()->_ndimension == nd+1); // {rhs, s, x,y,z,t}
double t0 = usecond();
Field &in = const_cast<Field &>(in6);
uint64_t nX = (uint64_t)N * nr;
thread_for(i, nX, { hX[i]=ComplexF(0.0,0.0); });
{
autoView(iv, in, CpuRead);
Coordinate c6(nd+1);
for(int ss=0; ss<lsites; ss++){
for(int d=0; d<nd; d++) c6[d+1] = myLcoor[ss][d];
for(int rr=0; rr<nr; rr++){
c6[0] = rr;
sobj s;
peekLocalSite(s, iv, c6);
for(int b=0; b<nbasis; b++)
hX[(uint64_t)rr*N + myGsite[ss]*nbasis + b] = ComplexF(((ComplexD *)&s)[b]);
}
}
}
double t1 = usecond();
double tprof[4];
SlabApplyPacked(nr, tprof);
double t5 = usecond();
{
autoView(ov, out6, CpuWrite);
Coordinate c6(nd+1);
for(int ss=0; ss<lsites; ss++){
for(int d=0; d<nd; d++) c6[d+1] = myLcoor[ss][d];
for(int rr=0; rr<nr; rr++){
c6[0] = rr;
sobj s;
for(int b=0; b<nbasis; b++)
((ComplexD *)&s)[b] = ComplexD(hY[(uint64_t)rr*nrows + (ss*nbasis+b)]); // Y col-major
pokeLocalSite(s, ov, c6);
}
}
}
double t6 = usecond();
std::cout << GridLogMessage << "DenseCoarseMatrix: apply6D " << nr << " rhs took "
<< (t6-t0)/1000.0 << " ms" << std::endl;
if ( getenv("DENSE_APPLY_PROFILE") ) {
std::cout << GridLogMessage << "DenseCoarseMatrix: apply6D profile:"
<< " pack " << (t1-t0)/1000.0
<< " allreduce " << tprof[0]/1000.0
<< " H2D " << tprof[1]/1000.0
<< " gemm+reduce "<< tprof[2]/1000.0
<< " D2H " << tprof[3]/1000.0
<< " unpack " << (t6-t5)/1000.0
<< " ms" << std::endl;
}
}
};
NAMESPACE_END(Grid);
@@ -31,6 +31,7 @@ Author: Peter Boyle <pboyle@bnl.gov>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/deflation/MultiRHSBlockProject.h>
NAMESPACE_BEGIN(Grid);
@@ -66,6 +67,10 @@ public:
std::vector<CoarseMatrix> _Adag;
std::vector<CoarseVector> MultTemporaries;
int64_t MultCalls;
double MultFlopsAccum;
double MultUsecAccum;
///////////////////////
// Interface
///////////////////////
@@ -104,19 +109,20 @@ public:
}
*/
GeneralCoarsenedMatrix(NonLocalStencilGeometry &_geom,GridBase *FineGrid, GridCartesian * CoarseGrid)
GeneralCoarsenedMatrix(NonLocalStencilGeometry &_geom,GridBase *FineGrid, GridCartesian * CoarseGrid,int _herm=1)
: geom(_geom),
_FineGrid(FineGrid),
_CoarseGrid(CoarseGrid),
hermitian(1),
hermitian(_herm),
Cell(_geom.Depth(),_CoarseGrid),
Stencil(Cell.grids.back(),geom.shifts)
Stencil(Cell.grids.back(),geom.shifts),
MultCalls(0), MultFlopsAccum(0.0), MultUsecAccum(0.0)
{
{
int npoint = _geom.npoint;
}
_A.resize(geom.npoint,CoarseGrid);
// _Adag.resize(geom.npoint,CoarseGrid);
if ( !hermitian ) _Adag.resize(geom.npoint,CoarseGrid);
}
void M (const CoarseVector &in, CoarseVector &out)
{
@@ -124,10 +130,10 @@ public:
}
void Mdag (const CoarseVector &in, CoarseVector &out)
{
GRID_ASSERT(hermitian);
Mult(_A,in,out);
// if ( hermitian ) M(in,out);
// else Mult(_Adag,in,out);
if(hermitian)
Mult(_A,in,out);
else
Mult(_Adag,in,out);
}
void Mult (std::vector<CoarseMatrix> &A,const CoarseVector &in, CoarseVector &out)
{
@@ -227,29 +233,28 @@ public:
text+=usecond();
ttot+=usecond();
std::cout << GridLogPerformance<<"Coarse 1rhs Mult Aviews "<<tviews<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult exch "<<texch<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult mult "<<tmult<<" us"<<std::endl;
std::cout << GridLogPerformance<<" of which mult2 "<<tmult2<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult ext "<<text<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult temps "<<ttemps<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult copy "<<tcopy<<" us"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Mult tot "<<ttot<<" us"<<std::endl;
// std::cout << GridLogPerformance<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel flops "<< flops<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel flop/s "<< flops/tmult<<" mflop/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse Kernel bytes/s "<< bytes/tmult<<" MB/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse overall flops/s "<< flops/ttot<<" mflop/s"<<std::endl;
std::cout << GridLogPerformance<<"Coarse total bytes "<< bytes/1e6<<" MB"<<std::endl;
MultCalls++;
MultFlopsAccum += flops;
MultUsecAccum += ttot;
std::cout << GridLogPerformance
<< "Coarse Mult call " << MultCalls
<< " tot " << ttot << " us"
<< " kernel " << tmult << " us"
<< " kernel " << flops/tmult*1e-3 << " GFlop/s"
<< " overall " << MultFlopsAccum/MultUsecAccum*1e-3 << " GFlop/s (cumul)"
<< " bw " << bytes/tmult*1e-3 << " GB/s"
<< std::endl;
};
void PopulateAdag(void)
{
#if 0
// Serial global peek/poke reference implementation
for(int64_t bidx=0;bidx<CoarseGrid()->gSites() ;bidx++){
Coordinate bcoor;
CoarseGrid()->GlobalIndexToGlobalCoor(bidx,bcoor);
for(int p=0;p<geom.npoint;p++){
Coordinate scoor = bcoor;
for(int mu=0;mu<bcoor.size();mu++){
@@ -262,6 +267,36 @@ public:
pokeSite(adj(link),_Adag[pp],bcoor);
}
}
#else
// Parallel: _Adag[pp](x) = adj( _A[p](x + s_pp) ), pp = Reverse(p), s_pp = -s_p.
// The neighbour fetch reuses the same padded-cell + stencil machinery as Mult,
// reading one matrix element per coalesced access so no whole site matrix
// (230KB at nbasis=60) ever lands on a GPU thread stack (HIP limit 128KB).
// Halo sites compute garbage neighbours; Cell.Extract discards them.
// Must run on the unpadded _A, i.e. before ExchangeCoarseLinks.
const int Nsimd = CComplex::Nsimd();
for(int p=0;p<geom.npoint;p++){
int pp = geom.Reverse(p);
CoarseMatrix Apad = Cell.ExchangePeriodic(_A[p]);
CoarseMatrix Dpad(Apad.Grid());
int64_t osites = Apad.Grid()->oSites();
{
autoView( Apad_v , Apad, AcceleratorRead);
autoView( Dpad_v , Dpad, AcceleratorWriteDiscard);
autoView( Stencil_v, Stencil, AcceleratorRead);
accelerator_for(sj, osites*nbasis, Nsimd, {
int32_t ss = sj/nbasis;
int32_t j = sj%nbasis;
auto SE = Stencil_v.GetEntry(pp,ss);
for(int i=0;i<nbasis;i++){
auto z = coalescedReadGeneralPermute(Apad_v[SE->_offset](i,j),SE->_permute,Nd);
coalescedWrite(Dpad_v[ss](j,i),conjugate(z));
}
});
}
_Adag[pp] = Cell.Extract(Dpad);
}
#endif
}
/////////////////////////////////////////////////////////////
//
@@ -417,10 +452,9 @@ public:
int osites=CoarseGrid()->oSites();
autoView( A_v , _A[k], AcceleratorWrite);
autoView( FT_v , FT[k], AcceleratorRead);
accelerator_for(sss, osites, 1, {
for(int j=0;j<nbasis;j++){
A_v[sss](i,j) = FT_v[sss](j);
}
accelerator_for(sss, osites, nbasis, {
int j = acceleratorSIMTlane(nbasis);
A_v[sss](i,j) = FT_v[sss](j);
});
}
tinv+=usecond();
@@ -428,8 +462,8 @@ public:
// Only needed if nonhermitian
if ( ! hermitian ) {
// std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
// PopulateAdag();
std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
PopulateAdag();
}
// Need to write something to populate Adag from A
@@ -517,13 +551,9 @@ public:
// Now compute the matrix elements of linop between the orthonormal
// set of vectors.
///////////////////////////////////////////////////////////////////////
FineField phaV(grid); // Phased block basis vector
FineField MphaV(grid);// Matrix applied
std::vector<FineComplexField> phaF(npoint,grid);
std::vector<CoarseComplexField> pha(npoint,CoarseGrid());
CoarseVector coarseInner(CoarseGrid());
typedef typename CComplex::scalar_type SComplex;
FineComplexField one(grid); one=SComplex(1.0);
FineComplexField zz(grid); zz = Zero();
@@ -542,37 +572,52 @@ public:
pha[p] =exp(pha[p]*ci);
blockZAXPY(phaF[p],pha[p],one,zz);
}
tphase+=usecond();
std::vector<CoarseVector> ComputeProj(npoint,CoarseGrid());
std::vector<CoarseVector> FT(npoint,CoarseGrid());
// Import basis into BLAS layout once; blockProject then reads it once per
// basis vector rather than once per (i,p) as in scalar blockProject.
// Process all npoint in a single batch.
MultiRHSBlockProject<FineField> Projector;
Projector.Allocate(nbasis, grid, CoarseGrid());
Projector.ImportBasis(U.subspace);
std::vector<FineField> phaV_batch(npoint, grid);
std::vector<FineField> MphaV_batch(npoint, grid);
std::vector<CoarseVector> proj_batch(npoint, CoarseGrid());
std::vector<CoarseVector> ComputeProj(npoint, CoarseGrid());
std::vector<CoarseVector> FT(npoint, CoarseGrid());
// Pre-allocate BLAS_F and BLAS_C to avoid repeated hipMalloc/hipFree of
// ~5.6 GB per blockProject call, which hangs on ROCm for large allocations.
Projector.BLAS_F.resize(Projector.fine_vol * Projector.words * npoint);
Projector.BLAS_C.resize(Projector.coarse_vol * nbasis * npoint);
for(int i=0;i<nbasis;i++){// Loop over basis vectors
accelerator_barrier(); // ensure prior iteration's async writes are retired
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<"/"<<nbasis<< std::endl;
for(int p=0;p<npoint;p++){ // Loop over momenta in npoint
tphaseBZ-=usecond();
phaV = phaF[p]*V.subspace[i];
tphaseBZ+=usecond();
/////////////////////////////////////////////////////////////////////
// Multiple phased subspace vector by matrix and project to subspace
// Remove local bulk phase to leave relative phases
/////////////////////////////////////////////////////////////////////
tmat-=usecond();
linop.Op(phaV,MphaV);
tmat+=usecond();
// std::cout << i << " " <<p << " MphaV "<<norm2(MphaV)<<" "<<norm2(phaV)<<std::endl;
tphaseBZ-=usecond();
for(int p=0;p<npoint;p++)
phaV_batch[p] = phaF[p] * V.subspace[i];
tphaseBZ+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" phaseBZ done"<< std::endl;
tproj-=usecond();
blockProject(coarseInner,MphaV,U.subspace);
coarseInner = conjugate(pha[p]) * coarseInner;
tmat-=usecond();
for(int p=0;p<npoint;p++)
linop.Op(phaV_batch[p], MphaV_batch[p]);
tmat+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" mat done"<< std::endl;
ComputeProj[p] = coarseInner;
tproj+=usecond();
// std::cout << i << " " <<p << " ComputeProj "<<norm2(ComputeProj[p])<<std::endl;
}
// One batched GEMM reads BLAS_V once for all npoint vectors.
tproj-=usecond();
Projector.blockProject(MphaV_batch, proj_batch);
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" blockProject done"<< std::endl;
for(int p=0;p<npoint;p++)
ComputeProj[p] = conjugate(pha[p]) * proj_batch[p];
tproj+=usecond();
std::cout << GridLogMessage<< "CoarsenMatrixColoured vec "<<i<<" proj done"<< std::endl;
tinv-=usecond();
for(int k=0;k<npoint;k++){
@@ -580,14 +625,13 @@ public:
for(int l=0;l<npoint;l++){
FT[k]= FT[k]+ invMkl(l,k)*ComputeProj[l];
}
int osites=CoarseGrid()->oSites();
autoView( A_v , _A[k], AcceleratorWrite);
autoView( FT_v , FT[k], AcceleratorRead);
accelerator_for(sss, osites, 1, {
for(int j=0;j<nbasis;j++){
A_v[sss](i,j) = FT_v[sss](j);
}
accelerator_for(sss, osites, nbasis, {
int j = acceleratorSIMTlane(nbasis);
A_v[sss](i,j) = FT_v[sss](j);
});
}
tinv+=usecond();
@@ -595,13 +639,13 @@ public:
// Only needed if nonhermitian
if ( ! hermitian ) {
// std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
// PopulateAdag();
std::cout << GridLogMessage<<"PopulateAdag "<<std::endl;
PopulateAdag();
}
for(int p=0;p<geom.npoint;p++){
std::cout << " _A["<<p<<"] "<<norm2(_A[p])<<std::endl;
}
// for(int p=0;p<geom.npoint;p++){
// std::cout << " _A["<<p<<"] "<<norm2(_A[p])<<std::endl;
// }
// Need to write something to populate Adag from A
ExchangeCoarseLinks();
@@ -616,7 +660,7 @@ public:
void ExchangeCoarseLinks(void){
for(int p=0;p<geom.npoint;p++){
_A[p] = Cell.ExchangePeriodic(_A[p]);
// _Adag[p]= Cell.ExchangePeriodic(_Adag[p]);
if ( !hermitian ) _Adag[p]= Cell.ExchangePeriodic(_Adag[p]);
}
}
virtual void Mdiag (const Field &in, Field &out){ GRID_ASSERT(0);};
+4 -6
View File
@@ -63,12 +63,10 @@ void MemoryManager::PrintBytes(void)
std::cout << " MemoryManager : "<<(total_device>>20)<<" accelerator Mbytes "<<std::endl;
std::cout << " MemoryManager : "<<(total_host>>20) <<" cpu Mbytes "<<std::endl;
uint64_t cacheBytes;
cacheBytes = CacheBytes[Cpu];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu cache Mbytes "<<std::endl;
cacheBytes = CacheBytes[Acc];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc cache Mbytes "<<std::endl;
cacheBytes = CacheBytes[Shared];
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" shared cache Mbytes "<<std::endl;
cacheBytes = HostCacheBytes();
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" cpu alloc cache Mbytes "<<std::endl;
cacheBytes = DeviceCacheBytes();
std::cout << " MemoryManager : "<<(cacheBytes>>20) <<" acc alloc cache Mbytes "<<std::endl;
#ifdef GRID_CUDA
cuda_mem();
+2 -1
View File
@@ -113,7 +113,7 @@ private:
static void *Insert(void *ptr,size_t bytes,AllocationCacheEntry *entries,int ncache,int &victim,uint64_t &cbytes) ;
static void *Lookup(size_t bytes,AllocationCacheEntry *entries,int ncache,uint64_t &cbytes) ;
public:
public:
static void PrintBytes(void);
static void Audit(std::string s);
static void Init(void);
@@ -215,6 +215,7 @@ private:
static void NotifyDeletion(void * CpuPtr);
static void Print(void);
static void PrintAll(void);
static void EvictAll(void);
static void PrintState( void* CpuPtr);
static int isOpen (void* CpuPtr);
static void ViewClose(void* CpuPtr,ViewMode mode);
+55 -8
View File
@@ -79,6 +79,25 @@ void MemoryManager::EntryErase(uint64_t CpuPtr)
auto AccCache = EntryLookup(CpuPtr);
AccViewTable.erase(CpuPtr);
}
/////////////////////////////////////////////////////////////////////////////////
// LRU membership invariant:
//
// LRU_valid == 1 <=> AccPtr != NULL && accLock == 0 && cpuLock == 0
//
// i.e. the LRU queue contains exactly the device-resident, completely unlocked
// entries -- the evictable set. Membership is maintained EAGERLY at the lock
// 0<->1 edges, O(1) via the stored LRU_entry iterator:
//
// AcceleratorViewOpen lock 0->1 : LRUremove (gated on LRU_valid)
// AcceleratorViewClose accLock->0: LRUinsert (AccPtr necessarily exists)
// CpuViewOpen lock 0->1 : LRUremove (gated on LRU_valid)
// CpuViewClose cpuLock->0: LRUinsert (iff AccPtr exists)
// Evict/AccDiscard : LRUremove (frees the device copy)
//
// Consequences: victims taken from LRU.back() are evictable by construction;
// Evict() on a locked entry is an invariant violation (asserted), and the
// eviction loops (EvictVictims/EvictAll) cannot spin.
/////////////////////////////////////////////////////////////////////////////////
void MemoryManager::LRUinsert(AcceleratorViewEntry &AccCache)
{
GRID_ASSERT(AccCache.LRU_valid==0);
@@ -130,21 +149,21 @@ void MemoryManager::Evict(AcceleratorViewEntry &AccCache)
{
///////////////////////////////////////////////////////////////////////////
// Make CPU consistent, remove from Accelerator, remove from LRU, LEAVE CPU only entry
// Cannot be acclocked. If allocated must be in LRU pool.
// Cannot be locked. If allocated must be in LRU pool.
//
// Nov 2022... Felix issue: Allocating two CpuPtrs, can have an entry in LRU-q with CPUlock.
// and require to evict the AccPtr copy. Eviction was a mistake in CpuViewOpen
// but there is a weakness where CpuLock entries are attempted for erase
// Take these OUT LRU queue when CPU locked?
// Cannot take out the table as cpuLock data is important.
// (Historical: a Nov 2022 incident (two CpuPtrs; eviction called from
// CpuViewOpen -- since excised) could present a cpuLocked entry here, and
// silent-return guards were added. The LRU membership invariant (see
// LRUinsert) now excludes ALL locked entries from the queue eagerly at the
// lock edges, so a locked victim is an invariant violation: asserted.)
///////////////////////////////////////////////////////////////////////////
GRID_ASSERT(AccCache.state!=Empty);
mprintf("MemoryManager: Evict CpuPtr %lx AccPtr %lx cpuLock %ld accLock %ld",
(uint64_t)AccCache.CpuPtr,(uint64_t)AccCache.AccPtr,
(uint64_t)AccCache.cpuLock,(uint64_t)AccCache.accLock);
if (AccCache.accLock!=0) return;
if (AccCache.cpuLock!=0) return;
GRID_ASSERT(AccCache.accLock==0);
GRID_ASSERT(AccCache.cpuLock==0);
if(AccCache.state==AccDirty) {
Flush(AccCache);
}
@@ -250,6 +269,19 @@ void MemoryManager::EvictVictims(uint64_t bytes)
}
}
}
void MemoryManager::EvictAll(void)
{
while(LRU.size()>0){
if ( DeviceLRUBytes > 0){
uint64_t victim = LRU.back(); // From the LRU
auto AccCacheIterator = EntryLookup(victim);
auto & AccCache = AccCacheIterator->second;
Evict(AccCache);
} else {
return;
}
}
}
uint64_t MemoryManager::AcceleratorViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,ViewAdvise hint)
{
////////////////////////////////////////////////////////////////////////////
@@ -383,6 +415,13 @@ void MemoryManager::CpuViewClose(uint64_t CpuPtr)
GRID_ASSERT(AccCache.accLock==0);
AccCache.cpuLock--;
// Return to LRU queue when fully unlocked -- mirrors AcceleratorViewClose.
// Asymmetry vs the Acc side: a device copy need not exist for a host view;
// only device-resident entries belong in the (evictable) LRU queue.
if( (AccCache.cpuLock==0) && (AccCache.AccPtr!=(uint64_t)NULL) ) {
dprintf("CpuViewClose %lx cpuLock decremented to zero, move to LRU queue",(uint64_t)CpuPtr);
LRUinsert(AccCache);
}
}
/*
* Action State StateNext Flush Clone
@@ -449,6 +488,14 @@ uint64_t MemoryManager::CpuViewOpen(uint64_t CpuPtr,size_t bytes,ViewMode mode,V
GRID_ASSERT(0); // should be unreachable
}
GRID_ASSERT(AccCache.cpuLock>0);
// If view is opened on host must remove from LRU -- mirrors AcceleratorViewOpen.
// LRU_valid==1 here implies this is the 0->1 lock edge of a device-resident entry.
if(AccCache.LRU_valid==1){
dprintf("CpuViewOpen: entry removed from LRU ");
LRUremove(AccCache);
}
AccCache.transient= transient? EvictNext : 0;
return AccCache.CpuPtr;
+10
View File
@@ -238,6 +238,16 @@ public:
}
void AllToAll(int dim ,void *in,void *out,uint64_t words,uint64_t bytes);
void AllToAll(void *in,void *out,uint64_t words ,uint64_t bytes);
////////////////////////////////////////////////////////////////////////////
// Variable count all to all. Counts and displacements are in units of
// "bytes" sized words and are indexed by rank within this communicator.
// For exchanges that are a permutation but do not divide evenly between
// ranks; AllToAll above is the uniform count special case.
////////////////////////////////////////////////////////////////////////////
void AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes);
template<class obj> void Broadcast(int root,obj &data)
{
+20
View File
@@ -945,5 +945,25 @@ void CartesianCommunicator::AllToAll(void *in,void *out,uint64_t words,uint64_t
MPI_Alltoall(in,iwords,object,out,iwords,object,communicator);
MPI_Type_free(&object);
}
void CartesianCommunicator::AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes)
{
FlightRecorder::StepLog("AllToAllV");
GRID_ASSERT(sendcounts.size()==(size_t)_Nprocessors);
GRID_ASSERT(senddispls.size()==(size_t)_Nprocessors);
GRID_ASSERT(recvcounts.size()==(size_t)_Nprocessors);
GRID_ASSERT(recvdispls.size()==(size_t)_Nprocessors);
// MPI counts are "int"; the caller sizes the word to keep them in range
int ibytes = bytes;
GRID_ASSERT(bytes == (uint64_t)ibytes);
MPI_Datatype object;
MPI_Type_contiguous(ibytes,MPI_BYTE,&object);
MPI_Type_commit(&object);
int ierr = MPI_Alltoallv(in ,(int *)&sendcounts[0],(int *)&senddispls[0],object,
out,(int *)&recvcounts[0],(int *)&recvdispls[0],object,communicator);
GRID_ASSERT(ierr==0);
MPI_Type_free(&object);
}
NAMESPACE_END(Grid);
+11
View File
@@ -113,6 +113,17 @@ void CartesianCommunicator::AllToAll(void *in,void *out,uint64_t words,uint64_t
{
bcopy(in,out,bytes*words);
}
void CartesianCommunicator::AllToAllV(void *in ,const std::vector<int> &sendcounts,const std::vector<int> &senddispls,
void *out,const std::vector<int> &recvcounts,const std::vector<int> &recvdispls,
uint64_t bytes)
{
// Single rank: the exchange degenerates to a copy of our own segment
GRID_ASSERT(sendcounts.size()==1);
GRID_ASSERT(recvcounts.size()==1);
GRID_ASSERT(sendcounts[0]==recvcounts[0]);
bcopy((char *)in +(uint64_t)senddispls[0]*bytes,
(char *)out+(uint64_t)recvdispls[0]*bytes,bytes*(uint64_t)sendcounts[0]);
}
int CartesianCommunicator::RankWorld(void){return 0;}
void CartesianCommunicator::Barrier(void){}
+2 -2
View File
@@ -289,7 +289,7 @@ public:
///////////////////////////////////////////
// move constructor
///////////////////////////////////////////
Lattice(Lattice && r){
Lattice(Lattice && r) noexcept {
this->_grid = r.Grid();
this->_odata = r._odata;
this->_odata_size = r._odata_size;
@@ -330,7 +330,7 @@ public:
///////////////////////////////////////////
// Move assignment possible if same type
///////////////////////////////////////////
inline Lattice<vobj> & operator = (Lattice<vobj> && r){
inline Lattice<vobj> & operator = (Lattice<vobj> && r) noexcept {
resize(0); // deletes if appropriate
this->_grid = r.Grid();
+6
View File
@@ -438,5 +438,11 @@ inline typename vobj::scalar_object sum_gpu_large(const vobj *lat, Integer osite
result = sumD_gpu_large(lat,osites);
return result;
}
template<class Word> Word checksum_gpu(Word *vec,uint64_t L)
{
Word w;
bzero(&w,sizeof(w));
return w;
}
NAMESPACE_END(Grid);
+1 -1
View File
@@ -59,7 +59,7 @@ inline void sliceSumReduction_cub_small(const vobj *Data,
#if defined(__CUDACC__) && (__CUDACC_VER_MAJOR__ >= 13)
#define GRID_CUB_SUM_OP ::cuda::std::plus<>{}
#else
#define GRID_CUB_SUM_OP ::cub::Sum()
#define GRID_CUB_SUM_OP ::gpucub::Sum()
#endif
gpuError_t gpuErr = gpucub::DeviceSegmentedReduce::Reduce(temp_storage_array, temp_storage_bytes, rb_p,d_out, rd, d_offsets, d_offsets+1, GRID_CUB_SUM_OP, zero_init, computeStream);
+62
View File
@@ -124,6 +124,68 @@ Lattice<iScalar<iScalar<iMatrix<vComplexD, N> > > > Inverse(const Lattice<iScala
return ret;
}
template<int N>
Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > > , N> > Inverse(const Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > >, N> > &Umu)
{
GridBase *grid=Umu.Grid();
auto lvol = grid->lSites();
Lattice<iMatrix<iScalar<iScalar<iScalar<vComplexD> > >, N > > ret(grid);
autoView(Umu_v,Umu,CpuRead);
autoView(ret_v,ret,CpuWrite);
thread_for(site,lvol,{
Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
Coordinate lcoor;
grid->LocalIndexToLocalCoor(site, lcoor);
iMatrix<iScalar<iScalar<iScalar<ComplexD> > >, N > Us;
iMatrix<iScalar<iScalar<iScalar<ComplexD> > >, N > Ui;
peekLocalSite(Us, Umu_v, lcoor);
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
EigenU(i,j) = Us(i,j)()()();
}}
Eigen::MatrixXcd EigenUinv = EigenU.inverse();
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
Ui(i,j)()()() = EigenUinv(i,j);
}}
pokeLocalSite(Ui,ret_v,lcoor);
});
return ret;
}
template<int N>
Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > > , N> > Inverse(const Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > >, N> > &Umu)
{
GridBase *grid=Umu.Grid();
auto lvol = grid->lSites();
Lattice<iMatrix<iScalar<iScalar<iScalar<iScalar<vComplexD> > > >, N > > ret(grid);
autoView(Umu_v,Umu,CpuRead);
autoView(ret_v,ret,CpuWrite);
thread_for(site,lvol,{
Eigen::MatrixXcd EigenU = Eigen::MatrixXcd::Zero(N,N);
Coordinate lcoor;
grid->LocalIndexToLocalCoor(site, lcoor);
iMatrix<iScalar<iScalar<iScalar<iScalar<ComplexD> > > >, N > Us;
iMatrix<iScalar<iScalar<iScalar<iScalar<ComplexD> > > >, N > Ui;
peekLocalSite(Us, Umu_v, lcoor);
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
EigenU(i,j) = Us(i,j)()()()();
}}
Eigen::MatrixXcd EigenUinv = EigenU.inverse();
for(int i=0;i<N;i++){
for(int j=0;j<N;j++){
Ui(i,j)()()()() = EigenUinv(i,j);
}}
pokeLocalSite(Ui,ret_v,lcoor);
});
return ret;
}
NAMESPACE_END(Grid);
#endif
+4
View File
@@ -2,3 +2,7 @@
int Grid::BinaryIO::latticeWriteMaxRetry = -1;
Grid::BinaryIO::IoPerf Grid::BinaryIO::lastPerf;
// Target size of a single contiguous file extent under BINARYIO_AGGREGATE.
// 4MB is around the knee for Lustre; exposed so it can be swept at runtime.
uint64_t Grid::BinaryIO::aggregateTargetBytes = 4*1024*1024;
+453 -12
View File
@@ -39,6 +39,7 @@
#endif
#include <arpa/inet.h>
#include <sys/stat.h>
#include <algorithm>
NAMESPACE_BEGIN(Grid);
@@ -87,6 +88,7 @@ class BinaryIO {
static IoPerf lastPerf;
static int latticeWriteMaxRetry;
static uint64_t aggregateTargetBytes;
/////////////////////////////////////////////////////////////////////////////
// more byte manipulation helpers
@@ -253,12 +255,392 @@ class BinaryIO {
// Read or Write distributed lexico array of ANY object to a specific location in file
//////////////////////////////////////////////////////////////////////////////////////
static const int BINARYIO_AGGREGATE = 0x20;
static const int BINARYIO_MASTER_APPEND = 0x10;
static const int BINARYIO_UNORDERED = 0x08;
static const int BINARYIO_LEXICOGRAPHIC = 0x04;
static const int BINARYIO_READ = 0x02;
static const int BINARYIO_WRITE = 0x01;
#ifdef USE_MPI_IO
/////////////////////////////////////////////////////////////////////////////
// Aggregation: self controlled transposition onto an I/O friendly layout.
//
// Under BINARYIO_LEXICOGRAPHIC the subarray file view handed to MPI-IO has
// contiguous runs of only lLattice[0]*sizeof(fobj) bytes -- a few KB for
// typical local volumes. Rather than rely on collective buffering to repair
// that, redistribute the payload ourselves so every rank owns a contiguous
// range of the global lexicographic site ordering, then issue large plain
// contiguous writes.
//
// "Un-splitting" the nunsplit fastest dimensions means the row of ranks
// sharing the remaining process coordinates collectively owns whole global
// hyperplanes. All data movement is then confined to that row communicator.
// Every rank still owns exactly lSites() sites afterwards, so the exchange is
// a pure permutation and needs no divisibility condition on the process grid.
/////////////////////////////////////////////////////////////////////////////
struct AggregationPlan {
int nunsplit{0}; // number of fastest dimensions un-split
int rowsize{0}; // ranks in the aggregation (row) communicator
int rowrank{0}; // our logical (lexicographic) index within the row
uint64_t lsites{0}; // sites per rank -- invariant under the permutation
uint64_t chunk{0}; // sites in one globally contiguous run owned by the row
std::unique_ptr<CartesianCommunicator> rowcomm;
// counts and displacements are indexed by rank within rowcomm
std::vector<int> sendcounts, senddispls, recvcounts, recvdispls;
std::vector<uint64_t> scatter; // recv slot -> slot in the aggregated buffer
std::vector<uint64_t> extentGsite; // global lex site index of extent start
std::vector<uint64_t> extentLocal; // offset of extent within aggregated buffer
std::vector<uint64_t> extentSites; // sites in this extent
};
static inline void BuildAggregationPlan(GridBase *grid,uint64_t fobjSize,AggregationPlan &p)
{
int ndim = grid->Dimensions();
Coordinate psizes = grid->ProcessorGrid();
Coordinate pcoor = grid->ThisProcessorCoor();
Coordinate gLattice= grid->GlobalDimensions();
Coordinate lLattice= grid->LocalDimensions();
Coordinate lstart = grid->LocalStarts();
uint64_t lsites = grid->lSites();
p.lsites = lsites;
//////////////////////////////////////////////////////////////////////////
// Un-splitting dims 0..k-1 gives the row a contiguous run of
// chunk(k) = prod_{d<k} gLattice[d] * lLattice[k]
// sites, and each rank writes extents of min(chunk,lsites). Take the
// smallest k that reaches the target so we disturb as few dimensions --
// and move as little data -- as possible.
//////////////////////////////////////////////////////////////////////////
int k = ndim-1;
for(int trial=1; trial<ndim; trial++){
uint64_t chunk = lLattice[trial];
for(int d=0; d<trial; d++) chunk *= gLattice[d];
if ( std::min(chunk,lsites)*fobjSize >= aggregateTargetBytes ) { k = trial; break; }
}
p.nunsplit = k;
//////////////////////////////////////////////////////////////////////////
// The box the row collectively owns, expressed in global coordinates.
// Restricting the global lexicographic order to this box preserves the
// ordering, so the row index below is monotone in the global index.
//////////////////////////////////////////////////////////////////////////
Coordinate B(ndim), S(ndim);
for(int d=0; d<ndim; d++){
if ( d<k ) { B[d] = gLattice[d]; S[d] = 0; }
else { B[d] = lLattice[d]; S[d] = lstart[d]; }
}
uint64_t chunk = lLattice[k];
for(int d=0; d<k; d++) chunk *= gLattice[d];
p.chunk = chunk;
//////////////////////////////////////////////////////////////////////////
// Row communicator: the ranks sharing the process coordinates of the slow
// (still split) dimensions. This is the sub-division the Cartesian
// communicator already performs for AllToAll(dim,...), widened from one
// dimension to the k fastest.
//////////////////////////////////////////////////////////////////////////
Coordinate row(ndim,1);
for(int d=0; d<k; d++) row[d] = psizes[d];
int srank;
p.rowcomm.reset(new CartesianCommunicator(row,*grid,srank));
p.rowsize = p.rowcomm->ProcessorCount();
//////////////////////////////////////////////////////////////////////////
// Our logical index in the row is the forward lexicographic index of the
// un-split process coordinates, so that increasing logical index means
// increasing global lexicographic position in the file. The communicator
// numbers its own ranks by the reversed (MPI) convention, so build the map
// between the two rather than assuming either.
//////////////////////////////////////////////////////////////////////////
int64_t logical=0, lstride=1;
for(int d=0; d<k; d++){ logical += pcoor[d]*lstride; lstride *= psizes[d]; }
GRID_ASSERT(lstride == (int64_t)p.rowsize);
p.rowrank = (int)logical;
std::vector<uint64_t> commOf(p.rowsize,0);
commOf[p.rowrank] = (uint64_t)p.rowcomm->ThisRank();
p.rowcomm->GlobalSumVector(&commOf[0],p.rowsize);
uint64_t mystart = (uint64_t)p.rowrank * lsites;
uint64_t myend = mystart + lsites;
Coordinate lcoor(ndim), bcoor(ndim), gcoor(ndim);
//////////////////////////////////////////////////////////////////////////
// Send side. Walking our local sites in local lexicographic order walks
// the row index monotonically, so the send buffer is iodata untouched and
// we need only the per destination counts.
//////////////////////////////////////////////////////////////////////////
std::vector<int> sendLogical(p.rowsize,0);
for(uint64_t L=0; L<lsites; L++){
Lexicographic::CoorFromIndex(lcoor,L,lLattice);
for(int d=0; d<ndim; d++) bcoor[d] = (d<k) ? (lstart[d]+lcoor[d]) : lcoor[d];
int64_t ri; Lexicographic::IndexFromCoor(bcoor,ri,B);
sendLogical[ ri/(int64_t)lsites ]++;
}
p.sendcounts.assign(p.rowsize,0);
p.senddispls.assign(p.rowsize,0);
{ int64_t disp=0;
for(int d=0; d<p.rowsize; d++){ // send buffer is in logical order
int c = (int)commOf[d];
p.sendcounts[c] = sendLogical[d];
p.senddispls[c] = (int)disp;
disp += sendLogical[d];
}
}
//////////////////////////////////////////////////////////////////////////
// Receive side. For each slot of our aggregated range work out which rank
// of the row owns it. Within one source the slots arrive in increasing row
// index order, which is the order the source sends them in.
//////////////////////////////////////////////////////////////////////////
std::vector<int> recvLogical(p.rowsize,0), recvDisplLogical(p.rowsize,0);
std::vector<int> source(lsites);
for(uint64_t pos=0; pos<lsites; pos++){
Lexicographic::CoorFromIndex(bcoor,(int64_t)(mystart+pos),B);
int64_t j=0, jstride=1;
for(int d=0; d<k; d++){ j += (bcoor[d]/lLattice[d])*jstride; jstride *= psizes[d]; }
source[pos] = (int)j;
recvLogical[j]++;
}
p.recvcounts.assign(p.rowsize,0);
p.recvdispls.assign(p.rowsize,0);
{ int64_t disp=0;
for(int s=0; s<p.rowsize; s++){ // recv buffer is in logical order
int c = (int)commOf[s];
recvDisplLogical[s] = (int)disp;
p.recvcounts[c] = recvLogical[s];
p.recvdispls[c] = (int)disp;
disp += recvLogical[s];
}
}
p.scatter.resize(lsites);
{
std::vector<int> fill(p.rowsize,0);
for(uint64_t pos=0; pos<lsites; pos++){
int j = source[pos];
p.scatter[ recvDisplLogical[j] + fill[j]++ ] = pos;
}
}
//////////////////////////////////////////////////////////////////////////
// The two sides are derived independently; make them check each other.
//////////////////////////////////////////////////////////////////////////
{
std::vector<uint64_t> sendc(p.rowsize),recvc(p.rowsize);
for(int c=0;c<p.rowsize;c++) sendc[c]=(uint64_t)p.sendcounts[c];
p.rowcomm->AllToAll(&sendc[0],&recvc[0],1,sizeof(uint64_t));
for(int c=0;c<p.rowsize;c++) GRID_ASSERT((int)recvc[c]==p.recvcounts[c]);
}
//////////////////////////////////////////////////////////////////////////
// Decompose our range into globally contiguous file extents.
//////////////////////////////////////////////////////////////////////////
for(uint64_t c = mystart/chunk; c <= (myend-1)/chunk; c++){
uint64_t lo = std::max(mystart, c*chunk);
uint64_t hi = std::min(myend, (c+1)*chunk);
Lexicographic::CoorFromIndex(bcoor,(int64_t)(c*chunk),B);
for(int d=0;d<ndim;d++) gcoor[d] = (d<k) ? bcoor[d] : bcoor[d]+S[d];
int64_t gbase; Lexicographic::IndexFromCoor(gcoor,gbase,gLattice);
p.extentGsite.push_back( (uint64_t)gbase + (lo - c*chunk) );
p.extentLocal.push_back( lo - mystart );
p.extentSites.push_back( hi - lo );
}
}
static inline void ReportAggregationPlan(GridBase *grid,const AggregationPlan &p,uint64_t fobjSize,const char *what)
{
if ( !grid->IsBoss() ) return;
std::cout << GridLogMessage << "IOobject: aggregate " << what
<< " un-splitting " << p.nunsplit << " fastest dimensions, row of "
<< p.rowsize << " ranks" << std::endl;
std::cout << GridLogMessage << "IOobject: aggregate " << p.extentSites.size()
<< " extent(s)/rank, first " << p.extentSites[0]*fobjSize/1024./1024. << " MB"
<< " (target " << aggregateTargetBytes/1024./1024. << " MB)" << std::endl;
std::cout << GridLogMessage << "IOobject: aggregate buffer overhead "
<< p.lsites*fobjSize/1024./1024. << " MB/rank" << std::endl;
}
////////////////////////////////////////////////////////////////////////////
// Stage timings. The interesting quantity is the slowest rank, since every
// stage is followed sooner or later by a synchronisation, so reduce with
// GlobalMax rather than reporting whatever the boss happened to see.
////////////////////////////////////////////////////////////////////////////
static inline void ReportStages(GridBase *grid,const char *what,
const std::vector<const char *> &names,
std::vector<RealD> &useconds)
{
GRID_ASSERT(names.size()==useconds.size());
for(uint64_t i=0;i<useconds.size();i++) grid->GlobalMax(useconds[i]);
if ( grid->IsBoss() ) {
std::cout << GridLogMessage << "IOobject: aggregate " << what << " stages (max over ranks, s):";
for(uint64_t i=0;i<names.size();i++)
std::cout << " " << names[i] << " " << useconds[i]/1.0e6;
std::cout << std::endl;
}
}
template<class fobj>
static inline void AggregateExchange(GridBase *grid,AggregationPlan &p,std::vector<fobj> &iodata,
std::vector<fobj> &aggregated,int forward)
{
uint64_t lsites = p.lsites;
GridStopWatch talloc,tperm,tcomm;
talloc.Start();
std::vector<fobj> tmp(lsites);
talloc.Stop();
if ( forward ) { // iodata (local order) -> aggregated (lexicographic order)
tcomm.Start();
p.rowcomm->AllToAllV(&iodata[0],p.sendcounts,p.senddispls,
&tmp[0], p.recvcounts,p.recvdispls,sizeof(fobj));
tcomm.Stop();
tperm.Start();
thread_for(s,lsites,{ aggregated[p.scatter[s]] = tmp[s]; });
tperm.Stop();
} else { // aggregated -> iodata, the exact mirror
tperm.Start();
thread_for(s,lsites,{ tmp[s] = aggregated[p.scatter[s]]; });
tperm.Stop();
tcomm.Start();
p.rowcomm->AllToAllV(&tmp[0], p.recvcounts,p.recvdispls,
&iodata[0],p.sendcounts,p.senddispls,sizeof(fobj));
tcomm.Stop();
}
std::vector<RealD> us = { (RealD)talloc.useconds(), (RealD)tperm.useconds(), (RealD)tcomm.useconds() };
ReportStages(grid,forward?"exchange (write)":"exchange (read)",
{"alloc","permute","alltoallv"},us);
}
template<class fobj>
static inline void AggregateWrite(GridBase *grid,AggregationPlan &p,std::vector<fobj> &aggregated,
std::string file,uint64_t offset)
{
//////////////////////////////////////////////////////////////////////////
// All ranks write concurrently into a shared file, so the file must exist
// before any of them open it for update, but it does NOT have to be the
// right length first: the extents tile the record exactly, so writing them
// extends a short file to precisely offset+payload.
//
// Records are created in sequence, so this payload ends the file: the
// length must end up precisely offset+payload. Anything beyond is left
// over from whatever the file previously held and must not survive -- a
// shorter new record written over a longer old one would otherwise leave
// a trailing fragment of the previous contents masquerading as data.
// That is the only case needing a truncate, so stat first and truncate
// afterwards only when the size actually came out wrong. Measured on
// Frontier, an unconditional truncate up front cost 0.22 to 5.4 s per
// record -- 15 to 25% of a 19 GB write and 100% of a small one -- while
// create, open and close together cost a few milliseconds. It is per
// record, so multi record files do not amortise it away.
//
// ::truncate is used because the C++ standard library cannot express this.
// std::filebuf has no length operation at all; ios::trunc only truncates to
// zero; seeking past the end and writing a byte can grow a file but never
// shrink one; and there is no portable way to recover a descriptor from a
// stream in order to call ftruncate. C++17 does finally offer
// std::filesystem::resize_file, but that would be Grid's first <filesystem>
// dependency and needs -lstdc++fs on the older toolchains still in use.
//////////////////////////////////////////////////////////////////////////
GridStopWatch tcreate,ttrunc,tbar,topen,twrite,tclose,tskew;
uint64_t need = offset + (uint64_t)grid->_gsites*sizeof(fobj);
tcreate.Start();
if ( grid->IsBoss() ) {
// opening for update needs the file to exist; create one only if not
std::fstream probe(file,std::ios::binary|std::ios::out|std::ios::in);
if ( !probe.is_open() ) {
std::ofstream create(file,std::ios::binary|std::ios::out);
create.close();
}
}
tcreate.Stop();
tbar.Start();
grid->Barrier();
tbar.Stop();
std::ofstream fout;
fout.exceptions( std::fstream::failbit | std::fstream::badbit );
try {
topen.Start();
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
topen.Stop();
twrite.Start();
for(uint64_t e=0;e<p.extentSites.size();e++){
fout.seekp(offset + p.extentGsite[e]*sizeof(fobj));
fout.write((char *)&aggregated[p.extentLocal[e]],p.extentSites[e]*sizeof(fobj));
}
twrite.Stop();
tclose.Start();
fout.close(); // flushes the stream buffer; does not force writeback
tclose.Stop();
} catch (const std::fstream::failure& exc) {
std::cout << GridLogError << "Error in aggregate write to " << file << std::endl;
std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
GridAbort();
}
////////////////////////////////////////////////////////////////////////
// Timed apart from the truncate that follows it. seek+write above is the
// slowest rank; this barrier is what the fastest rank then waits, so the
// pair separates the write cost from the spread across ranks. Folding it
// into the truncate makes a millisecond stat look like a second.
////////////////////////////////////////////////////////////////////////
tskew.Start();
grid->Barrier(); // every extent must be on its way first
tskew.Stop();
ttrunc.Start();
if ( grid->IsBoss() ) {
struct stat sb;
int ierr = ::stat(file.c_str(),&sb);
GRID_ASSERT(ierr==0);
if ( (uint64_t)sb.st_size != need ) { // only when a longer record preceded us
ierr = ::truncate(file.c_str(),(off_t)need);
GRID_ASSERT(ierr==0);
}
}
grid->Barrier();
ttrunc.Stop();
std::vector<RealD> us = { (RealD)tcreate.useconds(), (RealD)tbar.useconds(),
(RealD)topen.useconds(), (RealD)twrite.useconds(),
(RealD)tclose.useconds(), (RealD)tskew.useconds(),
(RealD)ttrunc.useconds() };
ReportStages(grid,"write",{"create","barrier","open","seek+write","close","skew","stat+truncate"},us);
}
template<class fobj>
static inline void AggregateRead(GridBase *grid,AggregationPlan &p,std::vector<fobj> &aggregated,
std::string file,uint64_t offset)
{
GridStopWatch topen,tread,tclose;
std::ifstream fin;
topen.Start();
fin.open(file,std::ios::binary|std::ios::in);
topen.Stop();
tread.Start();
for(uint64_t e=0;e<p.extentSites.size();e++){
fin.seekg(offset + p.extentGsite[e]*sizeof(fobj));
fin.read((char *)&aggregated[p.extentLocal[e]],p.extentSites[e]*sizeof(fobj));
GRID_ASSERT(fin.fail()==0);
}
tread.Stop();
tclose.Start();
fin.close();
tclose.Stop();
std::vector<RealD> us = { (RealD)topen.useconds(), (RealD)tread.useconds(), (RealD)tclose.useconds() };
ReportStages(grid,"read",{"open","seek+read","close"},us);
}
#endif
template<class word,class fobj>
static inline void IOobject(word w,
GridBase *grid,
@@ -302,6 +684,18 @@ class BinaryIO {
lStart[d] = 0;
}
//////////////////////////////////////////////////////////////////////////////
// Aggregate the lexicographic layout onto contiguous per rank extents
// ourselves rather than leaving it to MPI-IO collective buffering
//////////////////////////////////////////////////////////////////////////////
int aggregate = (control & BINARYIO_AGGREGATE)
&& (control & BINARYIO_LEXICOGRAPHIC)
&& !(control & BINARYIO_MASTER_APPEND)
&& (nrank > 1);
#ifndef USE_MPI_IO
GRID_ASSERT(aggregate==0); // BINARYIO_AGGREGATE requires MPI
#endif
#ifdef USE_MPI_IO
std::vector<int> distribs(ndim,MPI_DISTRIBUTE_BLOCK);
std::vector<int> dargs (ndim,MPI_DISTRIBUTE_DFLT_DARG);
@@ -329,6 +723,8 @@ class BinaryIO {
ierr = MPI_Type_contiguous(numword,mpiword,&mpiObject); GRID_ASSERT(ierr==0);
ierr = MPI_Type_commit(&mpiObject);
// The subarray view is what aggregation exists to avoid; do not build it
if ( !aggregate ) {
//////////////////////////////////////////////////////////////////////////////
// File global array data type
//////////////////////////////////////////////////////////////////////////////
@@ -340,6 +736,7 @@ class BinaryIO {
//////////////////////////////////////////////////////////////////////////////
ierr=MPI_Type_create_subarray(ndim,&lLattice[0],&lLattice[0],&lStart[0],MPI_ORDER_FORTRAN, mpiObject,&localArray); GRID_ASSERT(ierr==0);
ierr=MPI_Type_commit(&localArray); GRID_ASSERT(ierr==0);
}
#endif
//////////////////////////////////////////////////////////////////////////////
@@ -358,7 +755,19 @@ class BinaryIO {
timer.Start();
if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
if ( aggregate ) {
#ifdef USE_MPI_IO
std::cout<< GridLogMessage<<"IOobject: aggregate read I/O "<< file<< std::endl;
AggregationPlan plan;
BuildAggregationPlan(grid,sizeof(fobj),plan);
ReportAggregationPlan(grid,plan,sizeof(fobj),"read");
std::vector<fobj> aggregated(lsites);
AggregateRead(grid,plan,aggregated,file,offset);
AggregateExchange(grid,plan,iodata,aggregated,0);
#else
GRID_ASSERT(0);
#endif
} else if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
#ifdef USE_MPI_IO
std::cout<< GridLogMessage<<"IOobject: MPI read I/O "<< file<< std::endl;
ierr=MPI_File_open(grid->communicator,(char *) file.c_str(), MPI_MODE_RDONLY, MPI_INFO_NULL, &fh); GRID_ASSERT(ierr==0);
@@ -416,7 +825,25 @@ class BinaryIO {
grid->Barrier();
timer.Start();
if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
if ( aggregate ) {
#ifdef USE_MPI_IO
std::cout << GridLogMessage <<"IOobject: aggregate write I/O " << file << std::endl;
AggregationPlan plan;
BuildAggregationPlan(grid,sizeof(fobj),plan);
ReportAggregationPlan(grid,plan,sizeof(fobj),"write");
std::vector<fobj> aggregated(lsites);
AggregateExchange(grid,plan,iodata,aggregated,1);
AggregateWrite(grid,plan,aggregated,file,offset);
////////////////////////////////////////////////////////////////////////
// Not every rank ends at the end of the payload, so the position can
// not be recovered from a file handle. Callers (Lime record chaining)
// rely on this being the first byte past the record.
////////////////////////////////////////////////////////////////////////
offset = offset + (uint64_t)grid->_gsites*sizeof(fobj);
#else
GRID_ASSERT(0);
#endif
} else if ( (control & BINARYIO_LEXICOGRAPHIC) && (nrank > 1) ) {
#ifdef USE_MPI_IO
std::cout << GridLogMessage <<"IOobject: MPI write I/O " << file << std::endl;
ierr = MPI_File_open(grid->communicator, (char *)file.c_str(), MPI_MODE_RDWR | MPI_MODE_CREATE, MPI_INFO_NULL, &fh);
@@ -461,12 +888,26 @@ class BinaryIO {
std::ofstream fout;
fout.exceptions ( std::fstream::failbit | std::fstream::badbit );
////////////////////////////////////////////////////////////////////
// Grid's model is that the boss rank performs the metadata
// operations and every other rank only seeks and writes into a file
// that already exists. Opening with ios::out on all ranks broke that:
// it is O_TRUNC, so a rank opening late truncated the file back to
// zero after an earlier rank had written its segment, leaving a hole
// in its place. The barriers around this block are outside it and do
// not order the opens against the writes. Let the boss create and
// empty the file, then everyone opens for update only. Same resulting
// length, one metadata operation instead of one per rank, no race.
////////////////////////////////////////////////////////////////////
if ( !offset && grid->IsBoss() ) { // offset zero: this record starts the file
std::ofstream create(file,std::ios::binary|std::ios::out);
create.close();
}
grid->Barrier();
try {
if (offset) { // Must already exist and contain data
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
} else { // Allow create
fout.open(file,std::ios::binary|std::ios::out);
}
fout.open(file,std::ios::binary|std::ios::out|std::ios::in);
} catch (const std::fstream::failure& exc) {
std::cout << GridLogError << "Error in opening the file " << file << " for output" <<std::endl;
std::cout << GridLogError << "Exception description: " << exc.what() << std::endl;
@@ -477,7 +918,7 @@ class BinaryIO {
exit(1);
#endif
}
if ( control & BINARYIO_MASTER_APPEND ) {
try {
fout.seekp(0,fout.end);
@@ -548,7 +989,7 @@ class BinaryIO {
uint32_t &nersc_csum,
uint32_t &scidac_csuma,
uint32_t &scidac_csumb,
int control=BINARYIO_LEXICOGRAPHIC
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE
)
{
typedef typename vobj::scalar_object sobj;
@@ -587,7 +1028,7 @@ class BinaryIO {
uint32_t &nersc_csum,
uint32_t &scidac_csuma,
uint32_t &scidac_csumb,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
typedef typename vobj::Realified::scalar_type word; word w=0;
@@ -674,7 +1115,7 @@ class BinaryIO {
std::cout << GridLogMessage << "RNG read I/O on file " << file << std::endl;
std::vector<RNGstate> iodata(lsites);
IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC,
IOobject(w,grid,iodata,file,offset,format,BINARYIO_READ|BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE,
nersc_csum,scidac_csuma,scidac_csumb);
timer.Start();
@@ -753,7 +1194,7 @@ class BinaryIO {
});
timer.Stop();
IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC,
IOobject(w,grid,iodata,file,offset,format,BINARYIO_WRITE|BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE,
nersc_csum,scidac_csuma,scidac_csumb);
iodata.resize(1);
{
+4 -4
View File
@@ -212,7 +212,7 @@ class GridLimeReader : public BinaryIO {
// Read a generic lattice field and verify checksum
////////////////////////////////////////////
template<class vobj>
void readLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC)
void readLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
scidacChecksum scidacChecksum_;
@@ -414,7 +414,7 @@ class GridLimeWriter : public BinaryIO
// in communicator used by the field.Grid()
////////////////////////////////////////////////////
template<class vobj>
void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC)
void writeLimeLatticeBinaryObject(Lattice<vobj> &field,std::string record_name,int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
////////////////////////////////////////////////////////////////////
// NB: FILE and iostream are jointly writing disjoint sequences in the
@@ -519,7 +519,7 @@ class ScidacWriter : public GridLimeWriter {
template <class vobj, class userRecord>
void writeScidacFieldRecord(Lattice<vobj> &field,userRecord _userRecord,
const unsigned int recordScientificPrec = 0,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
GridBase * grid = field.Grid();
@@ -561,7 +561,7 @@ class ScidacReader : public GridLimeReader {
////////////////////////////////////////////////
template <class vobj, class userRecord>
void readScidacFieldRecord(Lattice<vobj> &field,userRecord &_userRecord,
int control=BINARYIO_LEXICOGRAPHIC)
int control=BINARYIO_LEXICOGRAPHIC|BINARYIO_AGGREGATE)
{
typedef typename vobj::scalar_object sobj;
GridBase * grid = field.Grid();
+3 -4
View File
@@ -51,8 +51,8 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
#endif
#ifdef __x86_64__
#ifdef GRID_CUDA
//accelerator_inline uint64_t __rdtsc(void) { return 0; }
//accelerator_inline uint64_t __rdpmc(int ) { return 0; }
accelerator_inline uint64_t __rdtsc(void) { return 0; }
accelerator_inline uint64_t __rdpmc(int ) { return 0; }
#else
#include <x86intrin.h>
#endif
@@ -93,8 +93,7 @@ inline uint64_t cyclecount(void){
}
#elif defined __x86_64__
inline uint64_t cyclecount(void){
uint64_t ret = __rdtsc();
return (uint64_t)ret;
return (uint64_t)0;
}
#else
@@ -0,0 +1,133 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/pseudofermion/TwoFlavourBosonPseudoFermion.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Two flavour BOSON (wrong-sign) pseudofermion for any FermionOperator B:
//
// S2 = chi^dag Bdag B chi = |B chi|^2
//
// integral ==> det( Bdag B )^-1 = |det B|^-2
//
// A compensator monomial: supplies an INVERSE determinant with NO solve in
// the force or the action -- both are matrix multiplies. The only solve is
// the heatbath chi = B^-1 eta, once per trajectory (for B = the
// Pauli-Villars operator this is a mass-one solve, trivially cheap).
//
// Primary use: two instances with B = PV cancel the |det PV|^2 excess of
// TwoFlavourPVdagMPseudoFermionAction down to the DWF quotient
// |det M|^2/|det PV|^2 (two unsquared instances rather than one squared
// kernel: first powers of PV in the force, milder). Being generic in B it
// also serves Hasenbusch-chain compensation at intermediate masses, or any
// future inverse-det bookkeeping. (Sibling of the domain-decomposed boson
// in DomainDecomposedBoundaryTwoFlavourBosonPseudoFermion.h, without the
// boundary machinery.)
//
// Heatbath exact by construction: S2 after refresh = |B B^-1 eta|^2 = |eta|^2.
///////////////////////////////////////////////////////////////////////////////
template<class Impl>
class TwoFlavourBosonPseudoFermionAction : public Action<typename Impl::GaugeField> {
public:
INHERIT_IMPL_TYPES(Impl);
private:
FermionOperator<Impl> & BOp; // the operator whose |det|^-2 is supplied
LinearFunction<FermionField> &HeatbathSolver; // b -> B^-1 b (heatbath only)
FermionField Chi; // the pseudo fermion field for this trajectory
public:
TwoFlavourBosonPseudoFermionAction(FermionOperator<Impl> &_BOp,
LinearFunction<FermionField> & HS
) : BOp(_BOp),
HeatbathSolver(HS),
Chi(_BOp.FermionGrid())
{};
virtual std::string action_name(){return "TwoFlavourBosonPseudoFermionAction";}
virtual std::string LogParameters(){
std::stringstream sstream;
sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
return sstream.str();
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
// P(chi) = e^{- chi^dag BdagB chi} ; chi = B^-1 eta ; P(eta) = e^{-eta^dag eta}
// e^{-x^2/2 sig^2} => sig^2 = 0.5 ; eta enters with width 1/sqrt(2).
RealD scale = std::sqrt(0.5);
FermionField eta(BOp.FermionGrid());
gaussian(pRNG,eta);
eta = eta * scale;
refresh(U,eta);
}
// Deterministic-noise variant (test hook):
// after this, S(U) == norm2(eta) exactly (to solver tolerance).
void refresh(const GaugeField &U, const FermionField &eta) {
BOp.ImportGauge(U);
Chi = Zero();
HeatbathSolver(eta,Chi); // Chi = B^-1 eta : the ONLY solve
std::cout << GridLogMessage << action_name() << " refresh |Chi|^2 = "<< norm2(Chi)<<std::endl;
}
//////////////////////////////////////////////////////
// S2 = |B chi|^2 -- matrix multiply only
//////////////////////////////////////////////////////
virtual RealD S(const GaugeField &U) {
BOp.ImportGauge(U);
FermionField w(BOp.FermionGrid());
BOp.M(Chi,w); // w = B chi
RealD action = norm2(w);
return action;
}
//////////////////////////////////////////////////////
// dS2 = chi^dag dBdag w + w^dag dB chi , w = B chi
// NO solves.
//////////////////////////////////////////////////////
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
BOp.ImportGauge(U);
FermionField w(BOp.FermionGrid());
GaugeField force(BOp.GaugeGrid());
BOp.M(Chi,w); // w = B chi
BOp.MDeriv(force, Chi, w, DaggerYes); dSdU = force;
BOp.MDeriv(force, w, Chi, DaggerNo ); dSdU = dSdU+force;
dSdU *= -1.0; // Grid action sign convention (cf TwoFlavourRatio.h)
};
};
NAMESPACE_END(Grid);
@@ -0,0 +1,264 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Two flavour ratio with FOUR dimensional pseudofermion, UNpreconditioned
// (full grid) solves.
//
// Companion to TwoFlavourRatioEO4DPseudoFermion.h but with the solver
// plumbing exposed as LinearFunction<FermionField> objects that already
// know their operator -- the natural interface for the non-Hermitian
// multigrid GCR stack (PVdagM), which solves M and Mdag DIRECTLY rather
// than through SchurRedBlack normal equations.
//
// Why: with 5D pseudofermions the squared-operator formulation hands
// normal-equation solvers (MdagM)^-1 phi AND Mdag^-1 phi from ONE Krylov
// space; a direct solver must solve twice, halving its per-solve gain.
// The 4D pseudofermion action needs one M^-1 and one M^-dag solve per
// force evaluation FOR BOTH solver families, so the direct-solver gain
// carries through undiluted. In addition phi4 is Ls-agnostic, so the
// force can be evaluated with a reduced-Ls operator pair while the
// accept/reject uses full Ls (inexact force, exact action).
//
// Solver slots (all full-grid 5D LinearFunctions, solution overwritten,
// zero guess imposed internally):
// DerivMinvSolver : x = M^-1 b (DenOp)
// DerivMdagInvSolver : x = M^-dag b (DenOp). For G5R5-hermitian
// actions this may be implemented by the caller as
// G5R5 . DerivMinvSolver . G5R5 -- no adjoint
// multigrid needed.
// ActionMinvSolver : x = M^-1 b (DenOp, accept/reject tolerance)
// HeatbathVinvSolver : x = V^-1 b (NumOp)
//
// 4D <-> 5D wall maps: the action is S = | P (M^-1 V) Pdag phi4 |^2 where
// (P,Pdag) MUST be a mutually adjoint pair for S and deriv to be
// consistent. Two candidate conventions, selected by solution_walls:
// true : P = P_- psi(0) + P_+ psi(Ls-1) (solution walls, matches
// ExportPhysicalFermionSolution) and Pdag its literal adjoint.
// false : P = P_+ psi(0) + P_- psi(Ls-1) (source walls, Pdag matches
// ImportUnphysicalFermion).
// The heatbath is exact iff [P M^-1 V Pdag][P V^-1 M Pdag] = 1 (the 4D
// effective-operator composition identity); which convention satisfies it
// is settled numerically by the refresh test S == 0.5*|eta4|^2 exactly.
///////////////////////////////////////////////////////////////////////////////
template<class Impl>
class TwoFlavourRatio4DPseudoFermionAction : public Action<typename Impl::GaugeField> {
public:
INHERIT_IMPL_TYPES(Impl);
private:
typedef FermionOperator<Impl> FermOp;
FermionOperator<Impl> & NumOp;// the basic operator (V)
FermionOperator<Impl> & DenOp;// the basic operator (M)
LinearFunction<FermionField> &DerivMinvSolver;
LinearFunction<FermionField> &DerivMdagInvSolver;
LinearFunction<FermionField> &ActionMinvSolver;
LinearFunction<FermionField> &HeatbathVinvSolver;
FermionField phi4; // the pseudo fermion field for this trajectory
int solution_walls; // wall convention for the (P,Pdag) pair; see header
////////////////////////////////////////////////////////////////////
// The mutually adjoint 4D <-> 5D pair.
// Wall4D : q4 = P psi5 (extract)
// Wall4DAdj : psi5 = Pdag q4 (insert; literal adjoint of Wall4D)
////////////////////////////////////////////////////////////////////
void Wall4D(const FermionField &psi5, FermionField &q4)
{
int Ls = NumOp.FermionGrid()->_fdimensions[0];
FermionField tmp(NumOp.FermionGrid());
if ( solution_walls ) {
// q4 = P_- psi(0) + P_+ psi(Ls-1)
axpby_ssp_pminus(tmp, 0., psi5, 1., psi5, 0, 0);
axpby_ssp_pplus (tmp, 1., tmp , 1., psi5, 0, Ls-1);
} else {
// q4 = P_+ psi(0) + P_- psi(Ls-1)
axpby_ssp_pplus (tmp, 0., psi5, 1., psi5, 0, 0);
axpby_ssp_pminus(tmp, 1., tmp , 1., psi5, 0, Ls-1);
}
ExtractSlice(q4, tmp, 0, 0);
}
void Wall4DAdj(const FermionField &q4, FermionField &psi5)
{
int Ls = NumOp.FermionGrid()->_fdimensions[0];
FermionField tmp(NumOp.FermionGrid());
tmp = Zero();
InsertSlice(q4, tmp, 0 , 0);
InsertSlice(q4, tmp, Ls-1, 0);
if ( solution_walls ) {
// psi(0) = P_- q4 ; psi(Ls-1) = P_+ q4
axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, 0 , 0);
axpby_ssp_pplus (tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
} else {
// psi(0) = P_+ q4 ; psi(Ls-1) = P_- q4
axpby_ssp_pplus (tmp, 0., tmp, 1., tmp, 0 , 0);
axpby_ssp_pminus(tmp, 0., tmp, 1., tmp, Ls-1, Ls-1);
}
psi5 = tmp;
}
public:
TwoFlavourRatio4DPseudoFermionAction(FermionOperator<Impl> &_NumOp,
FermionOperator<Impl> &_DenOp,
LinearFunction<FermionField> & DMS,
LinearFunction<FermionField> & DMDS,
LinearFunction<FermionField> & AMS,
LinearFunction<FermionField> & HVS,
int _solution_walls = 1
) : NumOp(_NumOp),
DenOp(_DenOp),
DerivMinvSolver(DMS),
DerivMdagInvSolver(DMDS),
ActionMinvSolver(AMS),
HeatbathVinvSolver(HVS),
phi4(_NumOp.GaugeGrid()),
solution_walls(_solution_walls)
{};
virtual std::string action_name(){return "TwoFlavourRatio4DPseudoFermionAction";}
virtual std::string LogParameters(){
std::stringstream sstream;
sstream << GridLogMessage << "["<<action_name()<<"] solution_walls " << solution_walls << std::endl;
return sstream.str();
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
// P(phi4) = e^{- phi4^dag Beff^dag Beff phi4} ; Beff = P M^-1 V Pdag
//
// NumOp == V
// DenOp == M
//
// Take phi4 = P V^-1 M Pdag eta4 ( = Beff^-1 eta4 by the composition
// identity; verified numerically by S == 0.5 |eta4|^2 after refresh )
//
// P(eta) = e^{- eta^dag eta} ; e^{-x^2/2 sig^2} => sig^2 = 0.5
// so eta enters with width 1/sqrt(2).
//
RealD scale = std::sqrt(0.5);
FermionField eta4(NumOp.GaugeGrid());
FermionField eta5(NumOp.FermionGrid());
FermionField tmp (NumOp.FermionGrid());
FermionField phi5(NumOp.FermionGrid());
gaussian(pRNG,eta4);
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
Wall4DAdj(eta4,eta5); // eta5 = Pdag eta4
DenOp.M(eta5,tmp); // tmp = M eta5
phi5 = Zero();
HeatbathVinvSolver(tmp,phi5); // phi5 = V^-1 M eta5
Wall4D(phi5,phi4); // phi4 = P phi5
phi4 = phi4*scale;
std::cout << GridLogMessage << "4d pf (non-EO) refresh "<< norm2(phi4)<<"\n";
};
//////////////////////////////////////////////////////
// S = phi4^dag (Pdag^dag V^dag M^-dag P^dag) (P M^-1 V Pdag) phi4
// = | P M^-1 V Pdag phi4 |^2
//////////////////////////////////////////////////////
virtual RealD S(const GaugeField &U) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField Y4 (NumOp.GaugeGrid());
FermionField phi5(NumOp.FermionGrid());
FermionField X (NumOp.FermionGrid());
FermionField Y (NumOp.FermionGrid());
Wall4DAdj(phi4,phi5); // phi5 = Pdag phi4
NumOp.M(phi5,X); // X = V phi5
Y = Zero();
ActionMinvSolver(X,Y); // Y = M^-1 V phi5
Wall4D(Y,Y4); // Y4 = P Y
RealD action = norm2(Y4);
return action;
};
//////////////////////////////////////////////////////
// dS/du = 2 Re [ (M^-dag Pdag w4)^dag dV Pdag phi4 ]
// - 2 Re [ (M^-dag Pdag w4)^dag dM (M^-1 V Pdag phi4) ]
// with w4 = P M^-1 V Pdag phi4.
// Two first-power solves: one M^-1, one M^-dag.
//////////////////////////////////////////////////////
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField phi5 (NumOp.FermionGrid());
FermionField Vphi (NumOp.FermionGrid());
FermionField MinvVphi (NumOp.FermionGrid());
FermionField w4 (NumOp.GaugeGrid());
FermionField Y (NumOp.FermionGrid());
FermionField MdagInvPdagW (NumOp.FermionGrid());
GaugeField force(NumOp.GaugeGrid());
Wall4DAdj(phi4,phi5); // phi5 = Pdag phi4
NumOp.M(phi5,Vphi); // Vphi = V phi5
MinvVphi = Zero();
DerivMinvSolver(Vphi,MinvVphi); // MinvVphi = M^-1 V phi5
std::cout << GridLogMessage << "4d pf (non-EO) deriv solve "<< norm2(MinvVphi)<<"\n";
// Project onto the physical 4D subspace and back: Y = Pdag P MinvVphi.
// Pdag here MUST be the literal adjoint of the P used in S, else the
// force is inconsistent with the action.
Wall4D(MinvVphi,w4); // w4 = P MinvVphi
Wall4DAdj(w4,Y); // Y = Pdag w4
MdagInvPdagW = Zero();
DerivMdagInvSolver(Y,MdagInvPdagW); // = M^-dag Pdag w4 (adjoint solve)
std::cout << GridLogMessage << "4d pf (non-EO) deriv solve dag "<< norm2(MdagInvPdagW)<<"\n";
// phi^dag (Pdag' Vdag Mdag^-1 P') (dV) Pdag phi + h.c.
NumOp.MDeriv(force, MdagInvPdagW, phi5, DaggerNo ); dSdU=force;
NumOp.MDeriv(force, phi5, MdagInvPdagW, DaggerYes); dSdU=dSdU+force;
// - phi^dag ( ... Mdag^-1 ) dM ( M^-1 V ... ) phi + h.c.
DenOp.MDeriv(force, MdagInvPdagW, MinvVphi, DaggerNo ); dSdU=dSdU-force;
DenOp.MDeriv(force, MinvVphi, MdagInvPdagW, DaggerYes); dSdU=dSdU-force;
dSdU *= -1.0;
};
};
NAMESPACE_END(Grid);
@@ -0,0 +1,206 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/pseudofermion/TwoFlavourRatioLeftPrec.h
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
///////////////////////////////////////////////////////////////////////////////
// Two flavour ratio with LEFT-PRECONDITIONED solves.
//
// Same action content as TwoFlavourRatio.h:
//
// S = phi^dag V (Mdag M)^-1 Vdag phi ==> det[ Mdag M / Vdag V ]
//
// (V = NumOp the heavier / Pauli-Villars operator, M = DenOp the lighter),
// but organised around the composite
//
// F = Vdag M
//
// which is the 2-hop-coarsenable operator the non-Hermitian multigrid
// serves. Solving M X = b as F X = Vdag b is LEFT PRECONDITIONING by
// Vdag; the determinant/action layer is the standard quotient, and all
// novelty is confined to the solver contract.
//
// TwoFlavourRatio.h is tied to a normal-equations solver: one (MdagM)^-1
// solve, then Y = M X gives Mdag^-1 Vdag phi almost free. The left-
// preconditioned idiom is DIFFERENT: the chain
//
// b = Vdag phi
// z : Fdag z = b (adjoint F solve)
// Y = V z (= Mdag^-1 Vdag phi -- harvested from solve 1)
// s = Vdag Y (= Vdag V z)
// X : F X = s (forward F solve; X = (MdagM)^-1 Vdag phi)
//
// yields Y BEFORE X (so S(U) needs only the adjoint solve), with Y's
// accuracy independent of the second solve. Force terms are then the
// standard four MDeriv insertions of TwoFlavourRatio.
//
// Solver slots are LinearFunctions with the F-SOLVE contract (solution
// overwritten, zero guess imposed internally):
// ForwardSolver(b,x) : F x = b
// AdjointSolver(b,z) : Fdag z = b
// implemented in production by the multigrid-GCR stack (forward cycle and
// adjoint cycle); in tests by CG on the composite normal equations.
// HeatbathSolver(b,x) : x = (Vdag V)^-1 b -- heavy operator, plain CG.
//
// Heatbath is exact by operator algebra: phi = V (VdagV)^-1 Mdag eta
// ==> S = | Mdag^-1 Vdag phi |^2 = |eta|^2 (to solver tolerance); the
// deterministic refresh(U,eta) hook below is the test point.
//
// Hasenbusch: nothing requires V to have mass one; any (heavier,lighter)
// pair works, F(V,M) = Vdag M coarsenable by the same machinery, rungs'
// solves are F-family (mrhs-batchable, mass-shared coarse space).
///////////////////////////////////////////////////////////////////////////////
template<class Impl>
class TwoFlavourRatioLeftPrecPseudoFermionAction : public Action<typename Impl::GaugeField> {
public:
INHERIT_IMPL_TYPES(Impl);
private:
FermionOperator<Impl> & NumOp;// V
FermionOperator<Impl> & DenOp;// M
LinearFunction<FermionField> &DerivForwardSolver; // F x = b, MD tolerance
LinearFunction<FermionField> &DerivAdjointSolver; // Fdag z = b, MD tolerance
LinearFunction<FermionField> &ActionAdjointSolver; // Fdag z = b, accept/reject tolerance
LinearFunction<FermionField> &HeatbathSolver; // (VdagV)^-1 b, heavy op
FermionField Phi; // the pseudo fermion field for this trajectory
public:
TwoFlavourRatioLeftPrecPseudoFermionAction(FermionOperator<Impl> &_NumOp,
FermionOperator<Impl> &_DenOp,
LinearFunction<FermionField> & DFS,
LinearFunction<FermionField> & DAS,
LinearFunction<FermionField> & AAS,
LinearFunction<FermionField> & HS
) : NumOp(_NumOp),
DenOp(_DenOp),
DerivForwardSolver(DFS),
DerivAdjointSolver(DAS),
ActionAdjointSolver(AAS),
HeatbathSolver(HS),
Phi(_NumOp.FermionGrid())
{};
virtual std::string action_name(){return "TwoFlavourRatioLeftPrecPseudoFermionAction";}
virtual std::string LogParameters(){
std::stringstream sstream;
sstream << GridLogMessage << "["<<action_name()<<"] has no parameters" << std::endl;
return sstream.str();
}
virtual void refresh(const GaugeField &U, GridSerialRNG &sRNG, GridParallelRNG& pRNG) {
// P(phi) = e^{- phi^dag V (MdagM)^-1 Vdag phi} ; phi = Vdag^-1 Mdag eta
// e^{-x^2/2 sig^2} => sig^2 = 0.5 ; eta enters with width 1/sqrt(2).
RealD scale = std::sqrt(0.5);
FermionField eta(NumOp.FermionGrid());
gaussian(pRNG,eta);
eta = eta * scale;
refresh(U,eta);
}
// Deterministic-noise variant (test hook):
// after this, S(U) == norm2(eta) exactly (to solver tolerance).
void refresh(const GaugeField &U, const FermionField &eta) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField tmp(NumOp.FermionGrid());
FermionField w (NumOp.FermionGrid());
DenOp.Mdag(eta,tmp); // tmp = Mdag eta
w = Zero();
HeatbathSolver(tmp,w); // w = (VdagV)^-1 Mdag eta
NumOp.M(w,Phi); // Phi = V (VdagV)^-1 Mdag eta = Vdag^-1 Mdag eta
std::cout << GridLogMessage << action_name() << " refresh |Phi|^2 = "<< norm2(Phi)<<std::endl;
}
//////////////////////////////////////////////////////
// S = phi^dag V (MdagM)^-1 Vdag phi = | Mdag^-1 Vdag phi |^2
// ONE adjoint F solve: Y = V Fdag^-1 Vdag phi = Mdag^-1 Vdag phi
//////////////////////////////////////////////////////
virtual RealD S(const GaugeField &U) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField b(NumOp.FermionGrid());
FermionField z(NumOp.FermionGrid());
FermionField Y(NumOp.FermionGrid());
NumOp.Mdag(Phi,b); // b = Vdag phi
z = Zero();
ActionAdjointSolver(b,z); // Fdag z = b
NumOp.M(z,Y); // Y = V z = Mdag^-1 Vdag phi
RealD action = norm2(Y);
return action;
}
//////////////////////////////////////////////////////
// dS/du = phi^dag dV (MdagM)^-1 Vdag phi
// - phi^dag V (MdagM)^-1 [ Mdag dM + dMdag M ] (MdagM)^-1 Vdag phi
// + phi^dag V (MdagM)^-1 dVdag phi
// Identical force insertions to TwoFlavourRatio.h; X and Y from the
// left-preconditioned chain (Y harvested from the adjoint solve).
//////////////////////////////////////////////////////
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
NumOp.ImportGauge(U);
DenOp.ImportGauge(U);
FermionField b(NumOp.FermionGrid());
FermionField z(NumOp.FermionGrid());
FermionField Y(NumOp.FermionGrid());
FermionField s(NumOp.FermionGrid());
FermionField X(NumOp.FermionGrid());
GaugeField force(NumOp.GaugeGrid());
NumOp.Mdag(Phi,b); // b = Vdag phi
z = Zero();
DerivAdjointSolver(b,z); // Fdag z = b
NumOp.M(z,Y); // Y = V z = Mdag^-1 Vdag phi (solve-1 harvest)
NumOp.Mdag(Y,s); // s = Vdag V z
X = Zero();
DerivForwardSolver(s,X); // F X = s ==> X = (MdagM)^-1 Vdag phi
// phi^dag V (MdagM)^-1 dVdag phi
NumOp.MDeriv(force , X, Phi, DaggerYes); dSdU = force;
// phi^dag dV (MdagM)^-1 Vdag phi
NumOp.MDeriv(force , Phi, X, DaggerNo ); dSdU = dSdU+force;
// - phi^dag V (MdagM)^-1 Mdag dM (MdagM)^-1 Vdag phi
// - phi^dag V (MdagM)^-1 dMdag M (MdagM)^-1 Vdag phi
DenOp.MDeriv(force, Y, X, DaggerNo ); dSdU = dSdU-force;
DenOp.MDeriv(force, X, Y, DaggerYes); dSdU = dSdU-force;
dSdU *= -1.0;
};
};
NAMESPACE_END(Grid);
+4 -4
View File
@@ -115,10 +115,10 @@ accelerator_inline ComplexF adj(const ComplexF& r ){ return(conjugate(r)); }
#if defined(GRID_CUDA) || defined(GRID_HIP)
//Provide for convenience
accelerator_inline std::complex<double> conjugate(const std::complex<double>& r){ return(conj(r)); }
accelerator_inline std::complex<float> conjugate(const std::complex<float>& r) { return(conj(r)); }
accelerator_inline std::complex<double> adj(const std::complex<double>& r) { return(conj(r)); }
accelerator_inline std::complex<float> adj(const std::complex<float>& r) { return(conj(r)); }
inline std::complex<double> conjugate(const std::complex<double>& r){ return(conj(r)); }
inline std::complex<float> conjugate(const std::complex<float>& r) { return(conj(r)); }
inline std::complex<double> adj(const std::complex<double>& r) { return(conj(r)); }
inline std::complex<float> adj(const std::complex<float>& r) { return(conj(r)); }
#endif
accelerator_inline RealF real(const RealF & r){ return r; }
+699
View File
@@ -0,0 +1,699 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2 solver: plain GCR, no further coarsening
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3PGCR(1.0e-1,200,LinOpCC,simpleCC,16,16);
L3PGCR.Level(3);
L3PGCR.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 12;
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: 12 GCR steps
LinOpCC,
L3PGCR,
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, matching CreateSubspaceGCR
// (Aggregates.h:196), in case the cached file predates it. Span-preserving
// and globally orthonormal -- NOT the block Orthogonalise() below, which would
// defeat the raw-null discipline (runMG promotes the RAW subspace to build L2;
// block-GS here -> psi_coarse = e_k). The raw copy in runMG happens AFTER this.
AggregatesGCR.GlobalOrthonormalise();
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
std::string _name;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_,
std::string name = std::string("unnamed"))
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
_name(name),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << _name << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << _name << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << _name <<"PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
//////////////////////////////////////////////////////////////////////
// Level 2 solver: plain GCR, no further coarsening
//////////////////////////////////////////////////////////////////////
TrivialPrecon<CoarseCoarseVector> simpleCC;
// L3PGCR is an inner solver inside the L1→2 V-cycle; does not need to converge
// to fine-grid precision. Loose tolerance (3e-2) and large restart (64) to allow
// the Krylov space to span enough of the near-null spectrum of LinOpCC per cycle.
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3PGCR(1.0e-4,5,LinOpCC,simpleCC,64,64);
L3PGCR.Level(3);
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.0;
int coarse_smoother_nstep = 8;
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.0,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.Level(2);
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: 12 GCR steps
LinOpCC,
L3PGCR,
simpleCC,
std::string("LinOpC"));
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.00,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.Level(1);
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC,
std::string("PVdagM"));
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
RealD madj = 1.0;
if ( getenv("MADJ") ) madj=atof(getenv("MADJ"));
std::cout << "PV mass set to "<<madj<<std::endl;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,madj, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.00,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Re-orthogonalise after loading to ensure block-GS condition holds.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded and re-orthogonalised." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+798
View File
@@ -0,0 +1,798 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_3level.cc
Copyright (C) 2023
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
GridCartesian *CoarseCoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2→3: coarsen LinOpCC using the RAW promoted psi_cc as aggregation
// to build the Level 4 (coarse-coarse-coarse) operator.
// psi_cc[0..nbasis-1] are the coarse-coarse near-null vectors, projected
// from the RAW psi_coarse (themselves projected from the RAW fine null
// vectors) -- the pre-block-GS chain the whole construction depends on.
// CoarsenOperator block-GS orthogonalises AggregatesL3.subspace IN PLACE,
// so assign COPIES of psi_cc and keep psi_cc itself raw.
//
// Tensor depth deepens once more: innerProduct(CoarseCoarseSiteObj,...) returns
// iScalar<vTTComplex>, so CComplex for the L2→L3 level is iScalar<iScalar<vTComplex>>.
//////////////////////////////////////////////////////////////////////
typedef typename CoarseCoarseVector::vector_object CoarseCoarseSiteObj;
typedef iScalar<vTTComplex> vTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseSiteObj,vTTTComplex,NB> LittleDiracOperatorL3;
typedef typename LittleDiracOperatorL3::CoarseVector CoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseSiteObj,vTTTComplex,NB> SubspaceL3;
typedef MGPreconditioner<CoarseCoarseSiteObj,vTTTComplex,NB> L2to3MG;
SubspaceL3 AggregatesL3(CoarseCoarseCoarse5d, CoarseCoarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL3.subspace[k] = psi_cc[k]; // raw promoted; COPY, keeps psi_cc raw
NextToNearestStencilGeometry5D geom3(CoarseCoarseCoarse5d);
LittleDiracOperatorL3 LittleDiracOpL3(geom3, CoarseCoarse5d, CoarseCoarseCoarse5d);
LittleDiracOpL3.CoarsenOperator(LinOpCC, AggregatesL3); // block-GS's AggregatesL3.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL3,CoarseCoarseCoarseVector> LinOpCCC(LittleDiracOpL3);
TrivialPrecon<CoarseCoarseCoarseVector> simpleCCC;
//////////////////////////////////////////////////////////////////////
// Level 4 bottom solve: GCR on a SHIFTED LinOpCCC. This is the one level
// with no IRS shift, and it is the most non-normal (coarsest) operator, so
// the bare bottom GCR wanders in a field of values that wraps the origin and
// its iteration count blows out (observed 5..54 iters to hit 0.2). Solving
// (A_ccc + l4_shift) instead slides the FoV off the origin; the correction is
// only ever a loose 0.2 approximation anyway, so the detuning is free.
// l4_shift defaults to 0.0 => bare LinOpCCC, baseline unchanged until opted in.
//////////////////////////////////////////////////////////////////////
RealD l4_shift = 0.0;
if(getenv("l4_shift")) l4_shift = atof(getenv("l4_shift"));
std::cout << GridLogMessage << "PARAM l4_shift = " << l4_shift << std::endl;
ShiftedLinearOperator<CoarseCoarseCoarseVector> ShiftedLinOpCCC(l4_shift, LinOpCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector> L4PGCR(1.0e-1,200,ShiftedLinOpCCC,simpleCCC,16,16);
L4PGCR.Level(4);
L4PGCR.Name("CCCouter");
//////////////////////////////////////////////////////////////////////
// Level 2→3 V-cycle: depth-2 SHIFTED smoother on LinOpCC + L4 bottom.
// The shift slides the coarse-coarse field of values off the origin so a
// 2-step smoother has something to bite on a non-normal operator (IRS idea).
//////////////////////////////////////////////////////////////////////
RealD cc_smoother_shift = 0.01;
int cc_smoother_nstep = 2;
if(getenv("cc_smoother_shift")) cc_smoother_shift = atof(getenv("cc_smoother_shift"));
if(getenv("cc_smoother_nstep")) cc_smoother_nstep = atoi(getenv("cc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseVector> ShiftedLinOpCC(cc_smoother_shift, LinOpCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
CoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCC,simpleCC,cc_smoother_nstep,cc_smoother_nstep);
CoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseSmootherGCR.Level(3);
CoarseCoarseSmootherGCR.Name("CCsmoother");
L2to3MG L2to3Precon(AggregatesL3,
LinOpCC,
simpleCC, // no pre-smoother
CoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCC,
L4PGCR,
simpleCCC); // trivial guesser at the bottom
//////////////////////////////////////////////////////////////////////
// Level 3 (coarse-coarse) solve: GCR preconditioned by the L2→L3 V-cycle.
// Replaces the plain L3PGCR of the 3-level build -- the coarse-coarse level
// is now smoothed shallowly and recursed rather than solved deeply.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3MGsolver(1.0e-1,200,LinOpCC,L2to3Precon,16,16);
L3MGsolver.Level(3);
L3MGsolver.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 2; // depth-2 smoother on the coarse level
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCC,
L3MGsolver, // coarse-coarse solve is now the L2→L3 V-cycle
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full three-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Three-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Three-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// Level 3 coarse-coarse-coarse grid: block clatt2 = {12,12,8,16} -> {6,12,8,8}.
// GEOMETRY (mpi 3.6.4.4, Nsimd=4 => SIMD layout {1,1,2,2}, factor 2 on z and t):
// every grid needs z-local and t-local EVEN. clatt2-local is {4,2,2,4}, so
// z-local=2 is already at its minimum even value and CANNOT be blocked (2->1
// is odd and trips the SIMD assertion); y-local=2 would go to 1 (degenerate).
// Only x and t have room, so block {2,1,1,2}: clatt3 {6,12,8,8}, L4-local
// {2,2,2,2} -- all dims even and >=2. z stays unblocked by construction.
Coordinate clatt3 = clatt2;
clatt3[0] /= 2; // x: 12 -> 6 (x-local 4 -> 2)
// clatt3[1] (y) unblocked: y-local 2 -> blocking gives 1 (degenerate)
// clatt3[2] (z) unblocked: z-local 2 is SIMD-pinned even, cannot halve
clatt3[3] /= 2; // t: 16 -> 8 (t-local 4 -> 2)
std::cout << GridLogMessage << "Level 3 coarse-coarse-coarse lattice: " << clatt3 << std::endl;
GridCartesian *CoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt3, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, in case the cached file
// predates the GlobalOrthonormalise() that CreateSubspaceGCR now applies
// (Aggregates.h:196). It is span-preserving and makes the vectors globally
// orthonormal -- it is NOT the block Orthogonalise() below, so it does NOT
// cause the psi_coarse->e_k trap. The RAW subspace copy in runMG happens
// AFTER this call, so the raw-null (pre-block-GS) discipline is preserved.
AggregatesGCR.GlobalOrthonormalise();
// DO NOT block-orthogonalise here: runMG copies subspace[] as the RAW
// (pre-block-GS) basis and CoarsenOperator block-GS's it in place later.
// Orthogonalising now defeats the raw-null discipline (psi_coarse -> e_k)
// and poisons L2/L3/L4. See project_block_orthogonalise_leak.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
CoarseCoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+954
View File
@@ -0,0 +1,954 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_5level.cc
Copyright (C) 2023
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/iterative/BiCGSTAB.h>
using namespace std;
using namespace Grid;
template <class T> void readFile(T& out, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Reading: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
SR.readScidacFieldRecord(out, record);
SR.close();
#endif
}
template <class T> void writeFile(T& in, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Writing: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(in.Grid()->IsBoss());
SW.open(fname);
SW.writeScidacFieldRecord(in, record);
SW.close();
#endif
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
int nApp;
int nAppDag;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV), nApp(0), nAppDag(0) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
nApp++;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
nAppDag++;
}
void clear() { nApp = 0; nAppDag = 0; }
void getApplications() {
std::cout << GridLogMessage << "# applications of PVdagM: " << nApp << std::endl;
std::cout << GridLogMessage << "# applications of PVdagM^dag: " << nAppDag << std::endl;
std::cout << GridLogMessage << "# applications total: " << nApp + nAppDag << std::endl;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class MdagPVLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
MdagPVLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
RealD shift;
public:
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// Lüscher deflated guesser (arXiv:0706.2298 Sec A.3) for a non-Hermitian solve.
// C_{st} = <psi[s] | LinOp | psi[t]>; guess = sum_s c_s psi[s] where c = C^{-1} psi† src.
template<class Field>
class LuscherGuesser : public LinearFunction<Field> {
const std::vector<Field> &psi;
Eigen::MatrixXcd C_inv;
public:
using LinearFunction<Field>::operator();
LuscherGuesser(const std::vector<Field> &psi_, const Eigen::MatrixXcd &Cinv_)
: psi(psi_), C_inv(Cinv_) {}
virtual void operator()(const Field &src, Field &guess) {
int N = psi.size();
Eigen::VectorXcd b(N);
for (int t = 0; t < N; t++)
b(t) = TensorRemove(innerProduct(psi[t], src));
Eigen::VectorXcd c = C_inv * b;
guess = Zero();
for (int s = 0; s < N; s++)
guess += ComplexD(c(s)) * psi[s];
}
};
template<class Fobj,class CComplex,int nbasis>
class MGPreconditioner : public LinearFunction< Lattice<Fobj> > {
public:
using LinearFunction<Lattice<Fobj> >::operator();
typedef Aggregation<Fobj,CComplex,nbasis> Aggregates;
typedef typename Aggregation<Fobj,CComplex,nbasis>::FineField FineField;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseVector CoarseVector;
typedef typename Aggregation<Fobj,CComplex,nbasis>::CoarseMatrix CoarseMatrix;
typedef LinearOperatorBase<FineField> FineOperator;
typedef LinearFunction <FineField> FineSmoother;
typedef LinearOperatorBase<CoarseVector> CoarseOperator;
typedef LinearFunction <CoarseVector> CoarseSolver;
Aggregates & _Aggregates;
FineOperator & _FineOperator;
FineSmoother & _PreSmoother;
FineSmoother & _PostSmoother;
CoarseOperator & _CoarseOperator;
CoarseSolver & _CoarseSolve;
CoarseSolver & _CoarseGuesser;
int level; void Level(int lv) {level = lv; };
MGPreconditioner(Aggregates &Agg,
FineOperator &Fine,
FineSmoother &PreSmoother,
FineSmoother &PostSmoother,
CoarseOperator &CoarseOperator_,
CoarseSolver &CoarseSolve_,
CoarseSolver &CoarseGuesser_)
: _Aggregates(Agg),
_FineOperator(Fine),
_PreSmoother(PreSmoother),
_PostSmoother(PostSmoother),
_CoarseOperator(CoarseOperator_),
_CoarseSolve(CoarseSolve_),
_CoarseGuesser(CoarseGuesser_),
level(1) { }
virtual void operator()(const FineField &in, FineField & out)
{
GridBase *CoarseGrid = _Aggregates.CoarseGrid;
CoarseVector Csrc(CoarseGrid);
CoarseVector Csol(CoarseGrid);
FineField vec1(in.Grid());
FineField vec2(in.Grid());
double t;
out = Zero();
t=-usecond();
_PreSmoother(in,out);
t+=usecond();
std::cout<<GridLogMessage << "PreSmoother took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1, in ,vec1);
t=-usecond();
_Aggregates.ProjectToSubspace(Csrc,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Project to coarse took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_CoarseGuesser(Csrc,Csol);
_CoarseSolve(Csrc,Csol);
t+=usecond();
std::cout<<GridLogMessage << "Coarse solve took "<< t/1000.0<< "ms" <<std::endl;
t=-usecond();
_Aggregates.PromoteFromSubspace(Csol,vec1);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage << "Promote to this level took "<< t/1000.0<< "ms" <<std::endl;
_FineOperator.Op(out,vec1); sub(vec1 ,in , vec1);
t=-usecond();
vec2=Zero();
_PostSmoother(vec1,vec2);
t+=usecond();
std::cout<<GridLogMessage << "PostSmoother took "<< t/1000.0<< "ms" <<std::endl;
add(out,out,vec2);
}
};
// Generic shifted linear operator: wraps any LinearOperatorBase and adds shift*I.
// Used to condition the coarse-level GCR smoother, analogous to ShiftedPVdagMLinearOperator
// at the fine level.
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : shift(_shift), _Op(Op) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out, int dir, int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in, out); out = out + shift * in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in, out); out = out + shift * in; }
void HermOpAndNorm(const Field &in, Field &out, RealD &n1, RealD &n2) { assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<int NB, class PVdagM_t, class ShiftedPVdagM_t, class Subspace, class LittleDiracOperator, class CoarseVector, class TwoLevelMG>
void runMG(
GridCartesian *FGrid,
GridCartesian *Coarse5d,
GridCartesian *CoarseCoarse5d,
GridCartesian *CoarseCoarseCoarse5d,
GridCartesian *CoarseCoarseCoarseCoarse5d,
NextToNearestStencilGeometry5D geom,
PVdagM_t &PVdagM,
ShiftedPVdagM_t &ShiftedPVdagM,
Subspace &AggregatesPD
) {
std::vector<LatticeFermion> subspace = AggregatesPD.subspace;
assert((int)subspace.size() == NB);
const int nbasis = NB;
const int cb = 0;
CoarseVector c_src(Coarse5d);
CoarseVector c_res(Coarse5d);
Complex one(1.0);
LatticeFermionD f_src(FGrid);
LatticeFermionD f_res(FGrid);
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<LatticeFermionD> simple_fine;
//////////////////////////////////////////////////////////////////////
// Level 0→1: coarsen PVdagM, build LinOpCoarse
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom, FGrid, Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesPD);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
//////////////////////////////////////////////////////////////////////
// Baseline: plain PGCR on LinOpCoarse (reference for comparison)
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: plain PGCR baseline"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2PGCR_baseline(3.0e-2,1100,LinOpCoarse,simpleC,10,10);
L2PGCR_baseline.Level(2);
L2PGCR_baseline.Name("Cbaseline");
c_src = one;
c_res = Zero();
L2PGCR_baseline(c_src,c_res);
//////////////////////////////////////////////////////////////////////
// psi_coarse: coarse projections of pre-GS fine null vectors.
// These are the Level 1 near-null vectors, promoted from Level 0.
// Used as the aggregation basis for Level 1→2 coarsening.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseVector> psi_coarse(nbasis, Coarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesPD.ProjectToSubspace(psi_coarse[k], subspace[k]);
//////////////////////////////////////////////////////////////////////
// Diagnostics: W (fine projected matrix) and C (Galerkin check)
//////////////////////////////////////////////////////////////////////
{
Eigen::MatrixXcd W = Eigen::MatrixXcd::Zero(nbasis, nbasis);
LatticeFermion ftmp(FGrid);
for (int j = 0; j < nbasis; j++) {
PVdagM.Op(subspace[j], ftmp);
for (int i = 0; i < nbasis; i++)
W(i,j) = TensorRemove(innerProduct(subspace[i], ftmp));
}
RealD normW = W.norm();
std::cout << GridLogMessage << "Fine projected matrix ||W|| = " << normW << std::endl;
Eigen::MatrixXcd C = Eigen::MatrixXcd::Zero(nbasis, nbasis);
CoarseVector Ac(Coarse5d);
for (int l = 0; l < nbasis; l++) {
LinOpCoarse.Op(psi_coarse[l], Ac);
for (int k = 0; k < nbasis; k++)
C(k,l) = TensorRemove(innerProduct(psi_coarse[k], Ac));
}
RealD normC = C.norm();
RealD normCmCdag = (C - C.adjoint()).norm();
std::cout << GridLogMessage << "Coarse null matrix ||C|| = " << normC << std::endl;
std::cout << GridLogMessage << "Coarse null matrix ||C - C†||/||C|| = " << normCmCdag/normC << std::endl;
std::cout << GridLogMessage << "Galerkin check ||C||/||W|| = " << normC/normW << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Level 1→2: set up aggregation using psi_coarse as subspace.
// Block factor 2,2,3,2 (removes odd local sublattice in z given MPI
// geometry 3×6×4×4 where z-local at Level 1 is 6).
// psi_coarse are assigned directly; CoarsenOperator performs
// block-GS orthogonalisation before building LinOpCoarseCoarse.
//////////////////////////////////////////////////////////////////////
// innerProduct(CoarseSiteObj, CoarseSiteObj) returns iScalar<vTComplex>, so CComplex
// for the L1→L2 level must be iScalar<vTComplex>, not vTComplex.
typedef typename CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,NB> LittleDiracOperatorL2;
typedef typename LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,NB> SubspaceL2;
typedef MGPreconditioner<CoarseSiteObj,vTTComplex,NB> L1to2MG;
SubspaceL2 AggregatesL2(CoarseCoarse5d, Coarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL2.subspace[k] = psi_coarse[k];
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
LittleDiracOperatorL2 LittleDiracOpL2(geom2, Coarse5d, CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC(LittleDiracOpL2);
TrivialPrecon<CoarseCoarseVector> simpleCC;
//////////////////////////////////////////////////////////////////////
// Lüscher deflation guesser for L3PGCR.
// Step 1: project psi_coarse[k] (promoted fine null vectors) to
// CoarseCoarseVector space — these cover the zero-momentum
// component of the near-null space of LinOpCC.
// Step 2: breed Nextra additional null vectors directly on LinOpCC
// using GCR with random sources — these pick up near-null
// modes at all spatial frequencies not spanned by step 1.
// Step 3: build C_{st} = <psi_cc[s]|LinOpCC|psi_cc[t]> over the
// full augmented basis and invert directly via Eigen LU.
//////////////////////////////////////////////////////////////////////
std::vector<CoarseCoarseVector> psi_cc(nbasis, CoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
{
int Nextra = nbasis; // breed as many extra as we have promoted ones
if ( getenv("CC_NEXTRA") ) Nextra = atoi(getenv("CC_NEXTRA"));
GridParallelRNG RNG_CC(CoarseCoarse5d);
RNG_CC.SeedFixedIntegers({11,13,17,19});
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
nullGCR(1e-2, 200, LinOpCC, simpleCC, 32, 32);
CoarseCoarseVector tmp(CoarseCoarse5d);
for (int k = 0; k < Nextra; k++) {
CoarseCoarseVector src(CoarseCoarse5d);
gaussian(RNG_CC, src);
tmp = Zero();
nullGCR(src, tmp);
psi_cc.push_back(tmp);
}
std::cout << GridLogMessage << "LinOpCC deflation basis: " << nbasis
<< " promoted + " << Nextra << " bred = " << psi_cc.size() << " total" << std::endl;
}
const int Naug = psi_cc.size();
Eigen::MatrixXcd Ccc = Eigen::MatrixXcd::Zero(Naug, Naug);
{
CoarseCoarseVector Acc(CoarseCoarse5d);
for (int l = 0; l < Naug; l++) {
LinOpCC.Op(psi_cc[l], Acc);
for (int k = 0; k < Naug; k++)
Ccc(k,l) = TensorRemove(innerProduct(psi_cc[k], Acc));
}
}
{
RealD normCcc = Ccc.norm();
RealD normCccmCdag = (Ccc - Ccc.adjoint()).norm();
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc|| = " << normCcc << std::endl;
std::cout << GridLogMessage << "Coarse-coarse deflation matrix ||Ccc-Ccc†||/||Ccc|| = " << normCccmCdag/normCcc << std::endl;
}
Eigen::MatrixXcd Ccc_inv = Ccc.inverse();
LuscherGuesser<CoarseCoarseVector> CCDeflGuesser(psi_cc, Ccc_inv);
//////////////////////////////////////////////////////////////////////
// Level 2→3: coarsen LinOpCC using the RAW promoted psi_cc as aggregation
// to build the Level 4 (coarse-coarse-coarse) operator.
// psi_cc[0..nbasis-1] are the coarse-coarse near-null vectors, projected
// from the RAW psi_coarse (themselves projected from the RAW fine null
// vectors) -- the pre-block-GS chain the whole construction depends on.
// CoarsenOperator block-GS orthogonalises AggregatesL3.subspace IN PLACE,
// so assign COPIES of psi_cc and keep psi_cc itself raw.
//
// Tensor depth deepens once more: innerProduct(CoarseCoarseSiteObj,...) returns
// iScalar<vTTComplex>, so CComplex for the L2→L3 level is iScalar<iScalar<vTComplex>>.
//////////////////////////////////////////////////////////////////////
typedef typename CoarseCoarseVector::vector_object CoarseCoarseSiteObj;
typedef iScalar<vTTComplex> vTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseSiteObj,vTTTComplex,NB> LittleDiracOperatorL3;
typedef typename LittleDiracOperatorL3::CoarseVector CoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseSiteObj,vTTTComplex,NB> SubspaceL3;
typedef MGPreconditioner<CoarseCoarseSiteObj,vTTTComplex,NB> L2to3MG;
SubspaceL3 AggregatesL3(CoarseCoarseCoarse5d, CoarseCoarse5d, cb);
for (int k = 0; k < nbasis; k++)
AggregatesL3.subspace[k] = psi_cc[k]; // raw promoted; COPY, keeps psi_cc raw
NextToNearestStencilGeometry5D geom3(CoarseCoarseCoarse5d);
LittleDiracOperatorL3 LittleDiracOpL3(geom3, CoarseCoarse5d, CoarseCoarseCoarse5d);
LittleDiracOpL3.CoarsenOperator(LinOpCC, AggregatesL3); // block-GS's AggregatesL3.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL3,CoarseCoarseCoarseVector> LinOpCCC(LittleDiracOpL3);
TrivialPrecon<CoarseCoarseCoarseVector> simpleCCC;
//////////////////////////////////////////////////////////////////////
// Level 3→4: coarsen LinOpCCC to build the Level 5 operator, using a
// TRUNCATED basis of only the first NB5 (< nbasis) raw promoted null vectors.
// psi_ccc[k] = raw psi_cc projected through the (block-GS'd) L3 aggregation
// -- the pre-block-GS chain continued one level deeper. We keep only the
// leading NB5: after the global orthogonalisation of the original fine null
// vectors the early indices retain the most-null content (shared low-mode
// components are peeled in first), so the leading NB5 are the crudely-most-
// null slice. This is the cheap "first 30" truncation test; a principled
// sigma-ordered rotation of psi_ccc would replace the slice, not the idea.
// NB: a positive result is conservative (sigma-ordering can only help); a
// negative one is inconclusive until the sigma-ordered NB5 is tried.
//
// Tensor depth deepens once more: CComplex for the L3→L4 level is
// iScalar<vTTTComplex>. NB5 (the coarse dimension) is independent of the
// depth -- it just makes the coarsest site vector NB5-dimensional.
//////////////////////////////////////////////////////////////////////
const int NB5 = 30; // compile-time: changing it re-instantiates the L4/L5 tensors
std::cout << GridLogMessage << "PARAM NB5 (truncated coarsest basis) = " << NB5 << std::endl;
assert(NB5 <= nbasis);
std::vector<CoarseCoarseCoarseVector> psi_ccc(nbasis, CoarseCoarseCoarse5d);
for (int k = 0; k < nbasis; k++)
AggregatesL3.ProjectToSubspace(psi_ccc[k], psi_cc[k]); // raw psi_cc -> L4 null vectors
//////////////////////////////////////////////////////////////////////
// Optional sigma-ordering of psi_ccc (SVD_REORDER set): replace the crude
// first-NB5 slice with the NB5 genuinely-most-null directions of span(psi_ccc)
// under LinOpCCC. For a NON-NORMAL operator the nullness measure is the
// singular value of A restricted to the span -- eig of Q†A†AQ -- NOT the
// numerical range Q†AQ (which non-normality contaminates). Robust route:
// whiten by the Gram (drop near-dependent directions), Hermitian-eig the
// whitened A†A, rotate. The printed singular spectrum IS the SVD study: where
// it falls off tells you the natural NB5, and the same numbers illuminate why
// the earlier singular-subspace deflation re-entered. Safe here because we
// ORDER vectors that then feed a Galerkin projection, not REMOVE a subspace.
// Default (unset) leaves psi_ccc in raw order == the "first 30" test.
//////////////////////////////////////////////////////////////////////
if ( getenv("SVD_REORDER") ) {
std::cout << GridLogMessage << "SVD_REORDER: sigma-ordering psi_ccc under LinOpCCC" << std::endl;
Eigen::MatrixXcd G(nbasis,nbasis); // Gram = Psi^dag Psi
for (int i=0;i<nbasis;i++)
for (int j=0;j<nbasis;j++)
G(i,j) = TensorRemove(innerProduct(psi_ccc[i],psi_ccc[j]));
std::vector<CoarseCoarseCoarseVector> Apsi(nbasis, CoarseCoarseCoarse5d);
for (int j=0;j<nbasis;j++) LinOpCCC.Op(psi_ccc[j], Apsi[j]);
Eigen::MatrixXcd M(nbasis,nbasis); // A^dagA = Psi^dag A^dag A Psi
for (int i=0;i<nbasis;i++)
for (int j=0;j<nbasis;j++)
M(i,j) = TensorRemove(innerProduct(Apsi[i],Apsi[j]));
// Whiten by the Gram: G = Ug diag(g) Ug^dag; keep g > tol*max; T = Ug diag(1/sqrt g).
// Q = Psi T is then orthonormal (Q^dag Q = T^dag G T = I).
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> esG(G);
Eigen::VectorXd g = esG.eigenvalues(); // ascending, real
RealD gmax = g(nbasis-1);
RealD gtol = 1.0e-9 * gmax;
int keep = 0; for (int i=0;i<nbasis;i++) if (g(i) > gtol) keep++;
std::cout << GridLogMessage << " Gram spectrum: min=" << g(0) << " max=" << gmax
<< " cond=" << gmax/std::max(g(0),1.0e-300) << " keep=" << keep << "/" << nbasis << std::endl;
assert(keep >= NB5);
Eigen::MatrixXcd T(nbasis, keep); // whitening (largest-g first)
{ int c=0;
for (int i=nbasis-1;i>=0;i--) if (g(i) > gtol) { T.col(c) = esG.eigenvectors().col(i)/std::sqrt(g(i)); c++; }
}
Eigen::MatrixXcd Mw = T.adjoint() * M * T; // whitened A^dagA (keep x keep, Hermitian)
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> esM(Mw);
Eigen::VectorXd s2 = esM.eigenvalues(); // ascending sigma^2 (most-null first)
std::cout << GridLogMessage << " Singular spectrum sigma_k (most-null first):" << std::endl;
for (int k=0;k<keep;k++)
std::cout << GridLogMessage << " sigma[" << k << "] = " << std::sqrt(std::max(s2(k),0.0)) << std::endl;
Eigen::MatrixXcd R = T * esM.eigenvectors(); // coeffs over Psi, sigma-ordered orthonormal dirs
std::vector<CoarseCoarseCoarseVector> phi(keep, CoarseCoarseCoarse5d);
for (int k=0;k<keep;k++) {
phi[k] = Zero();
for (int j=0;j<nbasis;j++)
phi[k] = phi[k] + ComplexD(R(j,k)) * psi_ccc[j];
}
for (int k=0;k<keep;k++) psi_ccc[k] = phi[k]; // psi_ccc[0..NB5-1] now = most-null dirs
std::cout << GridLogMessage << "SVD_REORDER: psi_ccc replaced by sigma-ordered directions" << std::endl;
}
typedef typename CoarseCoarseCoarseVector::vector_object CoarseCoarseCoarseSiteObj;
typedef iScalar<vTTTComplex> vTTTTComplex;
typedef GeneralCoarsenedMatrix<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> LittleDiracOperatorL4;
typedef typename LittleDiracOperatorL4::CoarseVector CoarseCoarseCoarseCoarseVector;
typedef Aggregation<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> SubspaceL4;
typedef MGPreconditioner<CoarseCoarseCoarseSiteObj,vTTTTComplex,NB5> L3to4MG;
SubspaceL4 AggregatesL4(CoarseCoarseCoarseCoarse5d, CoarseCoarseCoarse5d, cb);
for (int k = 0; k < NB5; k++)
AggregatesL4.subspace[k] = psi_ccc[k]; // FIRST NB5 raw promoted vectors (truncation)
NextToNearestStencilGeometry5D geom4(CoarseCoarseCoarseCoarse5d);
LittleDiracOperatorL4 LittleDiracOpL4(geom4, CoarseCoarseCoarse5d, CoarseCoarseCoarseCoarse5d);
LittleDiracOpL4.CoarsenOperator(LinOpCCC, AggregatesL4); // block-GS's AggregatesL4.subspace in place
NonHermitianLinearOperator<LittleDiracOperatorL4,CoarseCoarseCoarseCoarseVector> LinOpCCCC(LittleDiracOpL4);
TrivialPrecon<CoarseCoarseCoarseCoarseVector> simpleCCCC;
//////////////////////////////////////////////////////////////////////
// Level 5 bottom solve: GCR on a SHIFTED LinOpCCCC (the coarsest, most
// non-normal operator). l5_shift slides its field of values off the origin;
// defaults to 0.0 (bare LinOpCCCC) until opted in. This is the level a dense
// direct inverse would eventually replace: rank = NB5 * sites(clatt4).
//////////////////////////////////////////////////////////////////////
RealD l5_shift = 0.0;
if(getenv("l5_shift")) l5_shift = atof(getenv("l5_shift"));
std::cout << GridLogMessage << "PARAM l5_shift = " << l5_shift << std::endl;
ShiftedLinearOperator<CoarseCoarseCoarseCoarseVector> ShiftedLinOpCCCC(l5_shift, LinOpCCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseCoarseVector> L5PGCR(1.0e-1,200,ShiftedLinOpCCCC,simpleCCCC,16,16);
L5PGCR.Level(5);
L5PGCR.Name("CCCCouter");
//////////////////////////////////////////////////////////////////////
// Level 3→4 V-cycle: depth-2 SHIFTED smoother on LinOpCCC + Level 5 bottom.
// Level 4 is no longer the bottom -- it is smoothed shallowly and recursed to
// Level 5, mirroring how Level 3 recurses to Level 4.
//////////////////////////////////////////////////////////////////////
RealD ccc_smoother_shift = 0.05;
int ccc_smoother_nstep = 2;
if(getenv("ccc_smoother_shift")) ccc_smoother_shift = atof(getenv("ccc_smoother_shift"));
if(getenv("ccc_smoother_nstep")) ccc_smoother_nstep = atoi(getenv("ccc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseCoarseVector> ShiftedLinOpCCC(ccc_smoother_shift, LinOpCCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector>
CoarseCoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCCC,simpleCCC,ccc_smoother_nstep,ccc_smoother_nstep);
CoarseCoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseCoarseSmootherGCR.Level(4);
CoarseCoarseCoarseSmootherGCR.Name("CCCsmoother");
L3to4MG L3to4Precon(AggregatesL4,
LinOpCCC,
simpleCCC, // no pre-smoother
CoarseCoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCCC,
L5PGCR,
simpleCCCC); // trivial guesser at the bottom
//////////////////////////////////////////////////////////////////////
// Level 4 (coarse-coarse-coarse) solve: GCR preconditioned by the L3→L4 V-cycle.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseCoarseVector> L4MGsolver(1.0e-1,200,LinOpCCC,L3to4Precon,16,16);
L4MGsolver.Level(4);
L4MGsolver.Name("CCCouter");
//////////////////////////////////////////////////////////////////////
// Level 2→3 V-cycle: depth-2 SHIFTED smoother on LinOpCC + Level 4 solve.
// The shift slides the coarse-coarse field of values off the origin so a
// 2-step smoother has something to bite on a non-normal operator (IRS idea).
//////////////////////////////////////////////////////////////////////
RealD cc_smoother_shift = 0.01;
int cc_smoother_nstep = 2;
if(getenv("cc_smoother_shift")) cc_smoother_shift = atof(getenv("cc_smoother_shift"));
if(getenv("cc_smoother_nstep")) cc_smoother_nstep = atoi(getenv("cc_smoother_nstep"));
ShiftedLinearOperator<CoarseCoarseVector> ShiftedLinOpCC(cc_smoother_shift, LinOpCC);
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
CoarseCoarseSmootherGCR(0.01,1,ShiftedLinOpCC,simpleCC,cc_smoother_nstep,cc_smoother_nstep);
CoarseCoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseCoarseSmootherGCR.Level(3);
CoarseCoarseSmootherGCR.Name("CCsmoother");
L2to3MG L2to3Precon(AggregatesL3,
LinOpCC,
simpleCC, // no pre-smoother
CoarseCoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCCC,
L4MGsolver, // coarse solve is now the L3→L4 V-cycle
simpleCCC); // trivial guesser
//////////////////////////////////////////////////////////////////////
// Level 3 (coarse-coarse) solve: GCR preconditioned by the L2→L3 V-cycle.
// Replaces the plain L3PGCR of the 3-level build -- the coarse-coarse level
// is now smoothed shallowly and recursed rather than solved deeply.
//////////////////////////////////////////////////////////////////////
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector> L3MGsolver(1.0e-1,200,LinOpCC,L2to3Precon,16,16);
L3MGsolver.Level(3);
L3MGsolver.Name("CCouter");
//////////////////////////////////////////////////////////////////////
// Coarse-level GCR smoother for Level 1→2 V-cycle.
// Mirrors fine-grid SmootherGCR: shifted operator + fixed step count.
// coarse_smoother_shift and coarse_smoother_nstep are the tuning knobs.
//////////////////////////////////////////////////////////////////////
RealD coarse_smoother_shift = 0.01;
int coarse_smoother_nstep = 2; // depth-2 smoother on the coarse level
if(getenv("coarse_smoother_shift")) coarse_smoother_shift = atof(getenv("coarse_smoother_shift"));
if(getenv("coarse_smoother_nstep")) coarse_smoother_nstep = atoi(getenv("coarse_smoother_nstep"));
ShiftedLinearOperator<CoarseVector> ShiftedLinOpCoarse(coarse_smoother_shift, LinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> CoarseSmootherGCR(0.01,1,ShiftedLinOpCoarse,simpleC,coarse_smoother_nstep,coarse_smoother_nstep);
CoarseSmootherGCR.SetZeroGuess(1); // smoother slot: caller zeroes guess
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
//////////////////////////////////////////////////////////////////////
// Level 1→2 V-cycle preconditioner.
//////////////////////////////////////////////////////////////////////
L1to2MG L1to2Precon(AggregatesL2,
LinOpCoarse,
simpleC, // no pre-smoother (matches fine-grid setup)
CoarseSmootherGCR, // post-smoother: depth-2 shifted GCR
LinOpCC,
L3MGsolver, // coarse-coarse solve is now the L2→L3 V-cycle
CCDeflGuesser); // Lüscher guesser: psi_cc C^{-1} psi_cc†
//////////////////////////////////////////////////////////////////////
// Standalone Level 1 two-level solve test.
// Compare against plain PGCR baseline above.
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Level 1 solve: two-level MG preconditioned PGCR"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector> L2MGsolver(3.0e-2,200,LinOpCoarse,L1to2Precon,16,16);
L2MGsolver.Level(2);
L2MGsolver.Name("Couter");
c_res = Zero();
L2MGsolver(c_src,c_res);
std::cout << GridLogMessage << "Level 1 two-level test: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
//////////////////////////////////////////////////////////////////////
// Full five-level outer solve
//////////////////////////////////////////////////////////////////////
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
std::cout<<GridLogMessage<<" Five-level outer solve"<<std::endl;
std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> SmootherGCR(0.01,1,ShiftedPVdagM,simple_fine,16,16);
SmootherGCR.SetZeroGuess(1); // pre/post smoother slots zero their guess
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
f_src = one;
// Pre-smoother: none (TrivialPrecon); post-smoother: shifted PGCR.
// Coarse solver: L2MGsolver (PGCR preconditioned by Level 1→2 V-cycle).
TwoLevelMG ThreeLevelPrecon(AggregatesPD,
PVdagM,
simple_fine,
SmootherGCR,
LinOpCoarse,
L2MGsolver,
simpleC);
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermion> L1PGCR(1.0e-8,1000,PVdagM,ThreeLevelPrecon,16,16);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
f_res = Zero();
L1PGCR(f_src,f_res);
std::cout << GridLogMessage << "Five-level outer solve: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
const int Ls = 24;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
RealD mass = 0.00078;
if ( getenv("MASS") ) mass = atof(getenv("MASS"));
const int nbasis = 60;
std::cout << GridLogMessage << "Mass: " << mass << ", Ls: " << Ls << ", b=" << b << ", c=" << c << std::endl;
std::cout << GridLogMessage << "nbasis: " << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 coarse grid: block 2^4 from fine (48×48×48×96 → 24×24×24×48, Ls=1)
Coordinate clatt = lat_size;
for (int d = 0; d < 4; d++) clatt[d] /= 2;
std::cout << GridLogMessage << "Level 1 coarse lattice: " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
// Level 2 coarse-coarse grid: block 2,2,3,3 from Level 1 (24×24×24×48 → 12×12×8×16, Ls=1).
// MPI geometry 3.6.4.4 (288 ranks): fine local {16,8,12,24}.
// Level 1 local {8,4,6,12}; Level 2 local {4,2,2,4}.
// z blocked by 3: z-Level1-local=6; 6/3=2 (even), 6/2=3 (odd) → must use 3.
// t blocked by 3: t-Level1-local=12; 12/3=4 divisible by Nsimd=4 (gen-simd-width=64).
// t-block=2 gives t2-local=6, 6 mod 4 ≠ 0, fails Grid SIMD assertion. ✓
// With {4,2,2,4}: Nsimd=4 goes into x or t (both =4). ✓
Coordinate clatt2 = clatt;
clatt2[0] /= 2;
clatt2[1] /= 2;
clatt2[2] /= 3;
clatt2[3] /= 3;
std::cout << GridLogMessage << "Level 2 coarse-coarse lattice: " << clatt2 << std::endl;
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt2, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// Level 3 coarse-coarse-coarse grid: block clatt2 = {12,12,8,16} -> {6,12,8,8}.
// GEOMETRY (mpi 3.6.4.4, Nsimd=4 => SIMD layout {1,1,2,2}, factor 2 on z and t):
// every grid needs z-local and t-local EVEN. clatt2-local is {4,2,2,4}, so
// z-local=2 is already at its minimum even value and CANNOT be blocked (2->1
// is odd and trips the SIMD assertion); y-local=2 would go to 1 (degenerate).
// Only x and t have room, so block {2,1,1,2}: clatt3 {6,12,8,8}, L4-local
// {2,2,2,2} -- all dims even and >=2. z stays unblocked by construction.
Coordinate clatt3 = clatt2;
clatt3[0] /= 2; // x: 12 -> 6 (x-local 4 -> 2)
// clatt3[1] (y) unblocked: y-local 2 -> blocking gives 1 (degenerate)
// clatt3[2] (z) unblocked: z-local 2 is SIMD-pinned even, cannot halve
clatt3[3] /= 2; // t: 16 -> 8 (t-local 4 -> 2)
std::cout << GridLogMessage << "Level 3 coarse-coarse-coarse lattice: " << clatt3 << std::endl;
GridCartesian *CoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt3, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarse4d);
// Level 4 coarse^4 grid: block clatt3 = {6,12,8,8} -> {3,6,8,8} via {2,2,1,1}.
// mpi 3.6.4.4 => clatt4-local {1,1,2,2}: z-local=2, t-local=2 stay EVEN (SIMD
// factor 2 pins them), so z,t are unblocked; x,y (SIMD factor 1) halve to
// local 1 -- fully distributed but legal for the halo-depth-1 NextToNearest
// stencil. 1152 sites; with NB5=30 that is the 34,560-rank coarsest operator
// a dense direct inverse would target.
Coordinate clatt4 = clatt3;
clatt4[0] /= 2; // x: 6 -> 3 (x-local 2 -> 1)
clatt4[1] /= 2; // y: 12 -> 6 (y-local 2 -> 1)
// clatt4[2] (z) unblocked: z-local 2 is SIMD-pinned even
// clatt4[3] (t) unblocked: t-local 2 is SIMD-pinned even
std::cout << GridLogMessage << "Level 4 coarse^4 lattice: " << clatt4 << std::endl;
GridCartesian *CoarseCoarseCoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(clatt4, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarseCoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarseCoarseCoarse4d);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
RealD b_ = 1.5;
RealD c_ = 0.5;
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b_,c_);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b_,c_);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
typedef MGPreconditioner<vSpinColourVector,vTComplex,nbasis> TwoLevelMG;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(0.01,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
// Subspace cache: save after generation, reload on subsequent runs to skip expensive setup.
// Set SUBSPACE_FILE to override the default path.
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
// Check if subspace file exists (boss rank checks, result broadcast via GlobalSum).
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
// Insurance: GLOBAL (whole-lattice) orthonormalise, in case the cached file
// predates the GlobalOrthonormalise() that CreateSubspaceGCR now applies
// (Aggregates.h:196). It is span-preserving and makes the vectors globally
// orthonormal -- it is NOT the block Orthogonalise() below, so it does NOT
// cause the psi_coarse->e_k trap. It also (re)establishes the weak nullness
// gradient (shared most-null components peeled into the early indices) that
// the "first NB5" truncation relies on. Idempotent if the file was already
// globally orthonormal. The RAW subspace copy in runMG happens AFTER this
// call, so the raw-null (pre-block-GS) discipline is preserved.
AggregatesGCR.GlobalOrthonormalise();
// DO NOT block-orthogonalise here: runMG copies subspace[] as the RAW
// (pre-block-GS) basis and CoarsenOperator block-GS's it in place later.
// Orthogonalising now defeats the raw-null discipline (psi_coarse -> e_k)
// and poisons L2/L3/L4. See project_block_orthogonalise_leak.
// AggregatesGCR.Orthogonalise();
std::cout << GridLogMessage << "Subspace loaded, globally orthonormalised (raw block basis preserved)." << std::endl;
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
std::cout << GridLogMessage << "Subspace generation: PVdagM operator uses:" << std::endl;
PVdagM.getApplications();
PVdagM.clear();
saveSubspace(AggregatesGCR.subspace, subspace_file);
std::cout << GridLogMessage << "Subspace saved to: " << subspace_file << std::endl;
}
runMG<nbasis,PVdagM_t,ShiftedPVdagM_t,Subspace,LittleDiracOperator,CoarseVector,TwoLevelMG>(
FGrid,
Coarse5d,
CoarseCoarse5d,
CoarseCoarseCoarse5d,
CoarseCoarseCoarseCoarse5d,
geom,
PVdagM,
ShiftedPVdagM,
AggregatesGCR
);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+717
View File
@@ -0,0 +1,717 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_census.cc
Copyright (C) 2026
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
// Spectral census of the coarsened PVdagM operator A_c.
//
// Measures the three sets that discriminate between the candidate explanations
// for slow coarse-grid Krylov convergence:
//
// 0. Fine Ritz diagonal of RAW subspace vectors (pre-block-orthog).
// NB CoarsenOperator block-orthogonalises subspace[] IN PLACE; all
// nulliness/deflation bases must be built from a raw copy.
// 1. Adjoint correctness check <y|A x> == <A^dag y|x> (fail-fast)
// 2. Raw-vector coarse images vs A_c: RQ (must equal CENSUS 0 by Galerkin),
// ||A_c psi_c||/||psi_c||, and representability error
// 3. sigma_max^2 = lambda_max(A_c^dag A_c) via power method
// 4. Low singular values Chebyshev-filtered IRL on A_c^dag A_c
// -> sigma_min census = pseudospectrum of A_c evaluated at the origin
// 5. Half-plane margin lambda_min/max of H = (A_c + A_c^dag)/2
// -> min Re W(A_c); positive-real check (Eisenstat-Elman-Schultz bound)
//
// Interpretation:
// sigma_min ~ min|lambda|, ~nbasis tiny then gap : effectively normal, bipartite
// sigma_min ~ min|lambda|, dense low tail : normal but rank-starved
// sigma_min << min|lambda| : non-normal near origin
// lambda_min(H) < 0 : half-plane condition violated
//
// Requires the dagger code path in GeneralCoarsenedMatrix:
// _Adag allocated, PopulateAdag active, _Adag exchanged, hermitian=0.
//
// Env vars:
// MASS fermion mass (default 0.00078)
// SUBSPACE_FILE subspace cache path
// CoarseSolverShift shift baked into coarsening (default 0.0: pure Galerkin)
// CENSUS_NSTOP converged low modes wanted (default 60)
// CENSUS_NK Lanczos Nk (default 96)
// CENSUS_NM Lanczos Nm (default 192)
// CENSUS_TOL Lanczos residual (default 1e-5)
// CENSUS_MAXIT Lanczos max restarts (default 50)
// CHEBY_LO filter low edge in sigma^2 (default 4.0)
// CHEBY_HI filter high edge; 0 = auto from power method x1.1
// CHEBY_ORDER filter order (default 401)
// filter gain at 0 ~ cosh(order*2*sqrt(lo/hi)); with
// hi~2200, lo=4, order=401 => gain ~ 1e14. lo=0.01 at
// order 201 gives gain ~1.4 (stagnation).
#include <Grid/Grid.h>
#include <Grid/Grid_Eigen_Dense.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
using namespace std;
using namespace Grid;
RealD mass = 0.00078;
RealD CoarseSolverShift = 0.0;
int CensusNstop = 60;
int CensusNk = 96;
int CensusNm = 192;
RealD CensusTol = 1.0e-5;
int CensusMaxIt = 50;
RealD ChebyLo = 4.0; // sigma^2 cutoff: amplifies sigma < 2. Filter gain ~ cosh(order*2*sqrt(lo/hi))
RealD ChebyHi = 0.0; // 0 => auto: 1.1 * power-method sigma_max^2
int ChebyOrder = 401;
RealD CGdeflTol = 1.0e-8; // CENSUS 6 deflated-CG tolerance
int CGdeflMaxIt = 4000; // CENSUS 6 deflated-CG max iterations
int DeflRank = 0; // CENSUS 6 deflation rank; 0 => all available per basis
void ParseEnvironment(void)
{
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("CoarseSolverShift")) CoarseSolverShift = atof(getenv("CoarseSolverShift"));
if(getenv("CENSUS_NSTOP")) CensusNstop = atoi(getenv("CENSUS_NSTOP"));
if(getenv("CENSUS_NK")) CensusNk = atoi(getenv("CENSUS_NK"));
if(getenv("CENSUS_NM")) CensusNm = atoi(getenv("CENSUS_NM"));
if(getenv("CENSUS_TOL")) CensusTol = atof(getenv("CENSUS_TOL"));
if(getenv("CENSUS_MAXIT")) CensusMaxIt = atoi(getenv("CENSUS_MAXIT"));
if(getenv("CHEBY_LO")) ChebyLo = atof(getenv("CHEBY_LO"));
if(getenv("CHEBY_HI")) ChebyHi = atof(getenv("CHEBY_HI"));
if(getenv("CHEBY_ORDER")) ChebyOrder = atoi(getenv("CHEBY_ORDER"));
if(getenv("CGDEFL_TOL")) CGdeflTol = atof(getenv("CGDEFL_TOL"));
if(getenv("CGDEFL_MAXIT")) CGdeflMaxIt = atoi(getenv("CGDEFL_MAXIT"));
if(getenv("DEFL_RANK")) DeflRank = atoi(getenv("DEFL_RANK"));
std::cout << GridLogMessage << "PARAM: MASS " << mass << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverShift " << CoarseSolverShift << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NSTOP " << CensusNstop << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NK " << CensusNk << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_NM " << CensusNm << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_TOL " << CensusTol << std::endl;
std::cout << GridLogMessage << "PARAM: CENSUS_MAXIT " << CensusMaxIt << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_LO " << ChebyLo << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_HI " << ChebyHi << std::endl;
std::cout << GridLogMessage << "PARAM: CHEBY_ORDER " << ChebyOrder << std::endl;
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Saving subspace (" << subspace.size() << " vectors) to: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
std::cout << Grid::GridLogMessage << "Loading subspace (" << subspace.size() << " vectors) from: " << fname << std::endl;
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++)
SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
RealD shift;
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
out = out + shift * in;
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(tmp,out);
_Mat.Mdag(in,tmp);
out = out + shift * in;
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
// H = (A + A^dag)/2 : Hermitian part of the coarse operator.
// lambda_min(H) = min Re W(A) is the half-plane margin; the EES GCR
// convergence theorem requires it positive.
template<class Matrix,class Field>
class HermitianPartOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
public:
HermitianPartOperator(Matrix &Mat): _Mat(Mat) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ HermOp(in,out); }
void AdjOp (const Field &in, Field &out){ HermOp(in,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,out);
_Mat.Mdag(in,tmp);
out = 0.5*(out + tmp);
}
};
// s*I - Op : power method on this gives s - lambda_min(Op) for Hermitian Op.
template<class Field>
class ShiftedNegatedOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD s;
public:
ShiftedNegatedOperator(RealD _s, LinearOperatorBase<Field> &Op): _Op(Op), s(_s) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ HermOp(in,out); }
void AdjOp (const Field &in, Field &out){ HermOp(in,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Op.HermOp(in,out);
out = s*in - out;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
ParseEnvironment();
const int Ls=24;
RealD M5=1.8;
RealD b=1.5;
RealD c=0.5;
const int nbasis = 60;
std::cout << GridLogMessage << "Census of coarse PVdagM: mass=" << mass << " Ls=" << Ls << " nbasis=" << nbasis << std::endl;
std::vector<int> lat_size {48, 48, 48, 96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Blocking: default matches Example_pvdagm.cc; override with e.g. BLOCK=2.2.2.2
Coordinate clatt = lat_size;
Coordinate Block({4,4,6,4});
if ( getenv("BLOCK") ) {
GridCmdOptionIntVector(std::string(getenv("BLOCK")),Block);
GRID_ASSERT(Block.size()==4);
}
for(int d=0;d<clatt.size();d++){
GRID_ASSERT(lat_size[d] % Block[d] == 0);
clatt[d] = lat_size[d]/Block[d];
}
std::cout << GridLogMessage << "Block " << Block << " coarse lattice " << clatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers({1,2,3,4});
GridParallelRNG CRNG(Coarse5d); CRNG.SeedFixedIntegers({5,6,7,8});
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b,c);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(CoarseSolverShift,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom(Coarse5d);
//////////////////////////////////////////////////////////////////////
// Subspace: load from cache or generate
//////////////////////////////////////////////////////////////////////
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
uint64_t file_exists = 0;
if ( UGrid->IsBoss() ) {
std::ifstream f(subspace_file);
file_exists = f.good() ? 1 : 0;
}
UGrid->GlobalSum(file_exists);
const int cb = 0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ) {
std::cout << GridLogMessage << "*** Loading subspace from disk ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
saveSubspace(AggregatesGCR.subspace, subspace_file);
}
//////////////////////////////////////////////////////////////////////
// Keep the RAW (pre-block-orthogonalisation) near-null vectors.
// CoarsenOperator block-orthogonalises subspace[] IN PLACE, after which
// subspace[k] is the orthonormal basis phi_k and Project(phi_k) = e_k,
// the block-constant unit vector -- NOT a near-null direction.
// All nulliness measurements and any deflation basis must use raw[].
//////////////////////////////////////////////////////////////////////
std::vector<LatticeFermionD> raw(nbasis,FGrid);
for(int k=0;k<nbasis;k++) raw[k] = AggregatesGCR.subspace[k];
//////////////////////////////////////////////////////////////////////
// CENSUS 0: fine-grid Ritz diagonal on the loaded/generated raw vectors.
// Expect Re <psi|A|psi>/<psi|psi> ~ the nulliness achieved at generation
// (~2e-3). O(0.1-10) values mean the cache holds orthogonalised vectors
// and must be regenerated.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 0: fine Ritz diagonal of raw subspace vectors" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
{
LatticeFermionD Ap(FGrid);
for(int k=0;k<nbasis;k++){
PVdagM.Op(raw[k],Ap);
RealD n2psi = norm2(raw[k]);
ComplexD rq = innerProduct(raw[k],Ap)/n2psi;
std::cout << GridLogMessage << "CENSUS: raw[" << k << "] <psi|A|psi>/<psi|psi> = " << rq
<< " ||A psi||/||psi|| = " << std::sqrt(norm2(Ap)/n2psi) << std::endl;
}
}
//////////////////////////////////////////////////////////////////////
// Coarsen. hermitian=0 is REQUIRED: enables PopulateAdag so that
// Mdag applies A^dag rather than silently aliasing to A.
//////////////////////////////////////////////////////////////////////
LittleDiracOperator LittleDiracOpPV(geom,FGrid,Coarse5d,0);
if ( CoarseSolverShift != 0.0 ) {
std::cout << GridLogMessage << "Coarsening SHIFTED operator, shift=" << CoarseSolverShift << std::endl;
LittleDiracOpPV.CoarsenOperator(ShiftedPVdagM, AggregatesGCR);
} else {
std::cout << GridLogMessage << "Coarsening pure Galerkin operator (no shift)" << std::endl;
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesGCR);
}
CoarseVector c_x(Coarse5d);
CoarseVector c_y(Coarse5d);
CoarseVector c_t1(Coarse5d);
CoarseVector c_t2(Coarse5d);
//////////////////////////////////////////////////////////////////////
// CENSUS 1: adjoint correctness (fail fast)
// <y|A x> == <A^dag y|x> for random x,y
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 1: adjoint correctness of dagger code path" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
random(CRNG,c_x);
random(CRNG,c_y);
LittleDiracOpPV.M (c_x,c_t1); // A x
LittleDiracOpPV.Mdag(c_y,c_t2); // A^dag y
ComplexD ip1 = innerProduct(c_y,c_t1); // <y|A x>
ComplexD ip2 = innerProduct(c_t2,c_x); // <A^dag y|x>
RealD reldiff = abs(ip1-ip2)/abs(ip1);
std::cout << GridLogMessage << "CENSUS: <y|Ax> = " << ip1 << std::endl;
std::cout << GridLogMessage << "CENSUS: <Adag y|x> = " << ip2 << std::endl;
std::cout << GridLogMessage << "CENSUS: rel diff = " << reldiff << " (expect ~1e-14; FAIL if O(1))" << std::endl;
GRID_ASSERT(reldiff < 1.0e-8);
// Coarse near-null ("global") vectors psi_c[k] = P^dag raw[k], stored for the
// Ritz-matrix + deflation study in CENSUS 6 (filled in CENSUS 2's projection
// loop below, before raw[]/subspace[] are freed).
std::vector<CoarseVector> psi_c(nbasis,Coarse5d);
//////////////////////////////////////////////////////////////////////
// CENSUS 2: nulliness of the RAW vectors' coarse images against A_c.
// psi_c[k] = P^dag raw[k]. Galerkin guarantees the Rayleigh quotient
// equals CENSUS 0's fine value exactly (raw[k] is in span of its own
// chopped pieces) -- agreement is a machine-precision validation of
// the coarsening. ||A_c psi_c||/||psi_c|| is the sigma-relevant norm.
// The representability column ||raw - P psi_c||/||raw|| must be ~eps.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 2: raw-vector coarse images against coarse operator" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
{
LatticeFermionD back(FGrid);
for(int k=0;k<nbasis;k++){
AggregatesGCR.ProjectToSubspace(c_x, raw[k]);
psi_c[k] = c_x; // store coarse near-null vector for CENSUS 6
AggregatesGCR.PromoteFromSubspace(c_x, back);
back = back - raw[k];
RealD represent = std::sqrt(norm2(back)/norm2(raw[k]));
LittleDiracOpPV.M(c_x, c_t1);
RealD n2psi = norm2(c_x);
RealD n2Apsi= norm2(c_t1);
ComplexD rq = innerProduct(c_x,c_t1) / n2psi;
std::cout << GridLogMessage << "CENSUS: psi_c[" << k << "] <psi|A|psi>/<psi|psi> = " << rq
<< " ||A psi||/||psi|| = " << std::sqrt(n2Apsi/n2psi)
<< " represent_err = " << represent << std::endl;
}
}
// Fine subspace + raw copy are needed only through CENSUS 2; CENSUS 3-5 are
// entirely coarse (LittleDiracOpPV only), and the CENSUS 4 evec save writes the
// coarse vectors directly. Release the ~2*nbasis fine 5D fields (~14 GB/GCD at
// 2^4) HERE, before the order-ChebyOrder Lanczos whose padded coarse temporaries
// otherwise push host memory over the top on top of _A + _Adag (the AccCache
// CpuPtr!=NULL abort seen mid-iteration).
// Direct orthonormality check of the fine near-null vectors (GlobalOrthonormalise
// in CreateSubspaceGCR). raw is freed just below, so this runs here, not CENSUS 6.
// If this is ~0 but the coarse Gram S (CENSUS 6) is not, the gap is representability,
// not orthonormality.
{
Eigen::MatrixXcd Gfine(nbasis,nbasis);
for(int i=0;i<nbasis;i++){
for(int j=i;j<nbasis;j++){
ComplexD g = innerProduct(raw[i],raw[j]);
Gfine(i,j) = std::complex<double>(g.real(),g.imag());
Gfine(j,i) = std::conj(Gfine(i,j));
}
}
double GmI = (Gfine - Eigen::MatrixXcd::Identity(nbasis,nbasis)).norm();
std::cout << GridLogMessage << "CENSUS 2b: fine Gram ||<raw_i|raw_j> - I||_F = " << GmI
<< " (expect ~0 if fine vectors orthonormal)" << std::endl;
}
raw.clear(); raw.shrink_to_fit();
AggregatesGCR.subspace.clear(); AggregatesGCR.subspace.shrink_to_fit();
//////////////////////////////////////////////////////////////////////
// CENSUS 3: sigma_max^2 = lambda_max( A_c^dag A_c ) by power method
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 3: power method for sigma_max" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
MdagMLinearOperator<LittleDiracOperator,CoarseVector> HermOpAdagA(LittleDiracOpPV);
random(CRNG,c_x);
PowerMethod<CoarseVector> PM;
RealD sigmax2 = PM(HermOpAdagA,c_x);
std::cout << GridLogMessage << "CENSUS: lambda_max(AdagA) = " << sigmax2
<< " sigma_max = " << std::sqrt(sigmax2) << std::endl;
//////////////////////////////////////////////////////////////////////
// CENSUS 4: low singular values via Chebyshev-filtered IRL on A^dag A
// The low end of sigma(A_c) is the pseudospectrum of A_c at z=0.
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 4: Chebyshev-filtered Lanczos, low sigma^2" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
RealD cheby_hi = (ChebyHi > 0.0) ? ChebyHi : 1.1*sigmax2;
std::cout << GridLogMessage << "Chebyshev filter [" << ChebyLo << "," << cheby_hi << "] order " << ChebyOrder << std::endl;
// eval/evec/Nconv hoisted out of the block so CENSUS 6 can deflate with them.
std::vector<RealD> eval(CensusNm);
std::vector<CoarseVector> evec(CensusNm,Coarse5d);
int Nconv=0;
{
Chebyshev<CoarseVector> Cheby(ChebyLo,cheby_hi,ChebyOrder);
FunctionHermOp<CoarseVector> OpCheby(Cheby,HermOpAdagA);
PlainHermOp<CoarseVector> Op (HermOpAdagA);
ImplicitlyRestartedLanczos<CoarseVector> IRL(OpCheby,Op,CensusNstop,CensusNk,CensusNm,CensusTol,CensusMaxIt);
random(CRNG,c_x);
IRL.calc(eval,evec,c_x,Nconv);
std::cout << GridLogMessage << "CENSUS: converged " << Nconv << " modes of AdagA" << std::endl;
for(int i=0;i<Nconv;i++){
std::cout << GridLogMessage << "CENSUS: sigma[" << i << "]^2 = " << eval[i]
<< " sigma = " << std::sqrt(std::max(eval[i],0.0)) << std::endl;
}
// Optionally persist the low right-singular-vector basis: this IS the
// deflation basis for the coarse solve (ADEF1 / MultiRHSDeflation).
// Set CENSUS_EVEC_FILE to enable.
if ( getenv("CENSUS_EVEC_FILE") && Nconv>0 ) {
#ifdef HAVE_LIME
std::string evec_file(getenv("CENSUS_EVEC_FILE"));
std::string eval_file = evec_file + ".evals.xml";
std::cout << GridLogMessage << "CENSUS: saving " << Nconv << " singular vectors to " << evec_file << std::endl;
emptyUserRecord record;
ScidacWriter WR(evec[0].Grid()->IsBoss());
WR.open(evec_file);
for(int i=0;i<Nconv;i++) WR.writeScidacFieldRecord(evec[i],record);
WR.close();
XmlWriter WRx(eval_file);
std::vector<RealD> eval_out(eval.begin(),eval.begin()+Nconv); // don't shrink shared eval
write(WRx,"evals",eval_out);
#endif
}
}
// NB: evec/eval stay sized CensusNm (Lattice has no default ctor, so
// std::vector<CoarseVector>::resize won't instantiate). They match in size,
// which is all DeflatedGuesser asserts; CENSUS 6 only ever indexes [0,Nconv).
//////////////////////////////////////////////////////////////////////
// CENSUS 5: half-plane margin from the Hermitian part
// lambda_min(H) = min Re W(A_c) > 0 <=> positive-real (EES applies)
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 5: Hermitian part H=(A+Adag)/2, half-plane margin" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
HermitianPartOperator<LittleDiracOperator,CoarseVector> HermPart(LittleDiracOpPV);
random(CRNG,c_x);
RealD lamHmax = PM(HermPart,c_x);
std::cout << GridLogMessage << "CENSUS: lambda_max(H) = " << lamHmax << std::endl;
// lambda_min(H): most-negative eigenvalue via Chebyshev-filtered IRL on H.
// A shifted power method cannot separate it from the dense low tail (which is
// why the earlier -0.006 is suspect); Cheby(lo, hi>=lambda_max) amplifies the
// most-negative mode hardest so IRL isolates the true bottom of the spectrum.
RealD hpLo = getenv("HPLANE_CHEBY_LO") ? atof(getenv("HPLANE_CHEBY_LO")) : 0.1;
RealD hpHi = getenv("HPLANE_CHEBY_HI") ? atof(getenv("HPLANE_CHEBY_HI")) : 1.1*lamHmax;
int hpOrder = getenv("HPLANE_CHEBY_ORDER") ? atoi(getenv("HPLANE_CHEBY_ORDER")) : 61;
// Grid's Chebyshev filter MUST be odd order (positive for x < -1, where the low/
// negative modes map); an even order flips the sign there and the IRL blows up.
if(hpOrder%2==0){ hpOrder++;
std::cout<<GridLogMessage<<"HPLANE_CHEBY_ORDER forced odd -> "<<hpOrder<<std::endl; }
int hpNstop = getenv("HPLANE_NSTOP") ? atoi(getenv("HPLANE_NSTOP")) : 8;
int hpNk = getenv("HPLANE_NK") ? atoi(getenv("HPLANE_NK")) : 24;
int hpNm = getenv("HPLANE_NM") ? atoi(getenv("HPLANE_NM")) : 48;
RealD hpTol = getenv("HPLANE_TOL") ? atof(getenv("HPLANE_TOL")) : 1.0e-4;
int hpMaxIt = getenv("HPLANE_MAXIT") ? atoi(getenv("HPLANE_MAXIT")) : 20;
Chebyshev<CoarseVector> HCheby(hpLo,hpHi,hpOrder);
FunctionHermOp<CoarseVector> HOpCheby(HCheby,HermPart);
PlainHermOp<CoarseVector> HOpPlain(HermPart);
ImplicitlyRestartedLanczos<CoarseVector> HIRL(HOpCheby,HOpPlain,hpNstop,hpNk,hpNm,hpTol,hpMaxIt);
std::vector<RealD> heval(hpNm);
std::vector<CoarseVector> hevec(hpNm,Coarse5d);
int hNconv=0;
random(CRNG,c_x);
HIRL.calc(heval,hevec,c_x,hNconv);
RealD lamHmin = (hNconv>0) ? heval[0] : 9.99e99;
for(int kk=0;kk<hNconv;kk++) lamHmin = std::min(lamHmin, heval[kk]);
std::cout << GridLogMessage << "CENSUS: IRL H-bottom converged " << hNconv
<< " eigenvalues; most-negative = " << lamHmin << std::endl;
std::cout << GridLogMessage << "CENSUS: lambda_min(H) = " << lamHmin
<< " (positive-real / half-plane margin; NEGATIVE => GCR unguaranteed)" << std::endl;
//////////////////////////////////////////////////////////////////////
// CENSUS 6: Ritz matrix of the coarse near-null basis + deflated-CG study
//
// C_ij = <psi_c^i | A^dag A | psi_c^j>, S_ij = <psi_c^i | psi_c^j>.
// psi_c are NOT orthonormal (raw near-null projected to coarse), so the
// Rayleigh-Ritz problem is the GENERALISED Hermitian one C v = theta S v.
// Its eigenpairs (theta_i, g_i = sum_j V(j,i) psi_c^j) are the best approximate
// eigenpairs of A^dag A available from span{psi_c}; Eigen normalises so that
// V^dag S V = I, hence <g_i|g_j> = delta_ij and the g_i are an orthonormal
// DeflatedGuesser basis. Compare theta_i to the Lanczos sigma_i^2, then run
// three CG solves on A^dag A: [1] no deflation, [2] Lanczos-eigenvector
// deflated guess, [3] Ritz global-vector deflated guess (g_i treated as pure
// eigenvectors with eigenvalue theta_i).
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS 6: Ritz matrix C_ij = <psi_c^i|AdagA|psi_c^j> + deflated CG" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
std::vector<CoarseVector> Apsi(nbasis,Coarse5d);
for(int j=0;j<nbasis;j++) HermOpAdagA.HermOp(psi_c[j],Apsi[j]); // A^dag A psi_c^j
Eigen::MatrixXcd Cmat(nbasis,nbasis);
Eigen::MatrixXcd Smat(nbasis,nbasis);
for(int i=0;i<nbasis;i++){
for(int j=0;j<nbasis;j++){
ComplexD cij = innerProduct(psi_c[i],Apsi[j]);
ComplexD sij = innerProduct(psi_c[i],psi_c[j]);
Cmat(i,j) = std::complex<double>(cij.real(),cij.imag());
Smat(i,j) = std::complex<double>(sij.real(),sij.imag());
}
}
{
Eigen::SelfAdjointEigenSolver<Eigen::MatrixXcd> ses(Smat);
Eigen::MatrixXcd Id = Eigen::MatrixXcd::Identity(nbasis,nbasis);
double SmI = (Smat - Id).norm(); // ||S - I||_F : ~0 iff psi_c orthonormal
std::cout << GridLogMessage << "CENSUS 6: Gram S eig range [" << ses.eigenvalues()(0)
<< ", " << ses.eigenvalues()(nbasis-1)
<< "] ||S - I||_F = " << SmI
<< " (expect ~0: fine vectors are GlobalOrthonormalise'd => psi_c orthonormal)" << std::endl;
}
Eigen::GeneralizedSelfAdjointEigenSolver<Eigen::MatrixXcd> ges(Cmat,Smat);
Eigen::VectorXd theta = ges.eigenvalues(); // ascending, real
Eigen::MatrixXcd Vr = ges.eigenvectors(); // columns; V^dag S V = I
int ncmp = std::min((int)nbasis,Nconv);
std::cout << GridLogMessage << "CENSUS 6: Ritz theta vs Lanczos sigma^2 (both ascending):" << std::endl;
for(int i=0;i<nbasis;i++){
if(i<ncmp)
std::cout << GridLogMessage << "CENSUS: theta["<<i<<"] = "<<theta(i)
<<" sqrt = "<<std::sqrt(std::max(theta(i),0.0))
<<" | sigma^2 = "<<eval[i]<<" theta/sigma^2 = "<<theta(i)/eval[i] << std::endl;
else
std::cout << GridLogMessage << "CENSUS: theta["<<i<<"] = "<<theta(i)
<<" sqrt = "<<std::sqrt(std::max(theta(i),0.0)) << std::endl;
}
// Ritz global vectors g_i = sum_j V(j,i) psi_c^j (S-orthonormal), eigenvalue theta_i
std::vector<CoarseVector> gvec(nbasis,Coarse5d);
std::vector<RealD> gval(nbasis);
for(int i=0;i<nbasis;i++){
gvec[i] = Zero();
for(int j=0;j<nbasis;j++){
ComplexD coeff(Vr(j,i).real(),Vr(j,i).imag());
axpy(gvec[i],coeff,psi_c[j],gvec[i]);
}
gval[i] = theta(i);
}
// How good are the diagonalised global vectors as actual eigenvectors of A^dag A?
{
CoarseVector Ag(Coarse5d), rr(Coarse5d);
int nchk = std::min((int)nbasis,16);
for(int i=0;i<nchk;i++){
HermOpAdagA.HermOp(gvec[i],Ag);
axpy(rr,-gval[i],gvec[i],Ag); // rr = A^dag A g - theta g
RealD rn = std::sqrt(norm2(rr));
std::cout << GridLogMessage << "CENSUS 6: Ritz resid ["<<i<<"] ||AdagA g - theta g||/theta = "
<< rn/std::max(gval[i],1.0e-30) << " (theta="<<gval[i]<<")" << std::endl;
}
}
// --- Three CG solves on A^dag A, common random source ---
int rankLanc = (DeflRank>0) ? std::min(DeflRank,Nconv) : Nconv;
int rankRitz = (DeflRank>0) ? std::min(DeflRank,(int)nbasis) : (int)nbasis;
std::cout << GridLogMessage << "CENSUS 6: CG tol "<<CGdeflTol<<" maxit "<<CGdeflMaxIt
<< " ; deflation ranks -- Lanczos "<<rankLanc<<", Ritz "<<rankRitz << std::endl;
CoarseVector cg_src(Coarse5d); random(CRNG,cg_src);
CoarseVector cg_x (Coarse5d);
ConjugateGradient<CoarseVector> CGdefl(CGdeflTol,CGdeflMaxIt,false);
cg_x = Zero();
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [1] no deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
if(rankLanc>0){
DeflatedGuesser<CoarseVector> guessL(evec,eval,rankLanc);
guessL(cg_src,cg_x);
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [2] Lanczos-evec deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
}
{
DeflatedGuesser<CoarseVector> guessR(gvec,gval,rankRitz);
guessR(cg_src,cg_x);
CGdefl(HermOpAdagA,cg_src,cg_x);
std::cout << GridLogMessage << "CENSUS 6: [3] Ritz-vector deflation : iters = "
<< CGdefl.IterationsToComplete << " true_resid = " << CGdefl.TrueResidual << std::endl;
}
//////////////////////////////////////////////////////////////////////
// Summary
//////////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "CENSUS SUMMARY" << std::endl;
std::cout << GridLogMessage << " sigma_max = " << std::sqrt(sigmax2) << std::endl;
std::cout << GridLogMessage << " lambda_max(H) = " << lamHmax << std::endl;
std::cout << GridLogMessage << " lambda_min(H) = " << lamHmin << std::endl;
std::cout << GridLogMessage << " low sigma census : see CENSUS 4 table above" << std::endl;
std::cout << GridLogMessage << " Compare min sigma with |lambda| from Krylov-Schur (Patrick):" << std::endl;
std::cout << GridLogMessage << " sigma_min ~ min|lambda| : effectively normal; deflation rank is the issue" << std::endl;
std::cout << GridLogMessage << " sigma_min << min|lambda|: non-normal; need two-sided/singular-vector deflation" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+278
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@@ -0,0 +1,278 @@
/*
* Example_pvdagm_halfplane.cc
*
* Standalone fine-operator diagnostic: the EES half-plane margin of the
* (non-Hermitian) PV-preconditioned Mobius DWF operator
*
* A(m_adj) = D_adj^dag D_light (D_adj plays the Pauli-Villars role)
*
* as a function of the adjoint mass m_adj, dialled from the light quark mass
* up to the Pauli-Villars mass (=1). No coarse grid, no subspace, no Lanczos
* -- pure power-method spectral tests on the fine grid.
*
* Purpose: A is the LEFT preconditioner for inverting the light operator.
* To solve D_light X = B we iterate the preconditioned system
* (D_adj^dag D_light) X = D_adj^dag B ,
* whose solution X is independent of m_adj -- only the conditioning and the
* iterative convergence change. m_adj = m_light is the usual CGNR (symmetric
* normal equations); m_adj = 1 is the Pauli-Villars preconditioned system.
* The sweep asks which m_adj keeps the preconditioned operator well-behaved
* (positive-real / EES-guaranteed) while buying the wider spectral range.
*
* For the Hermitian part H(A) = (A + A^dag)/2 we measure, per m_adj:
*
* lambda_max(H) -- power method on H
* lambda_min(H) -- power method on (sI - H) => min Re W(A), the half-plane
* margin. EES (Eisenstat-Elman-Schultz 1983, Thm 3.3)
* GUARANTEES GCR convergence with rate
* [ 1 - lambda_min(H)^2 / sigma_max^2 ]^{1/2}
* ONLY when lambda_min(H) > 0 (positive-real / A's field
* of values in the open right half-plane). A negative
* value means the guarantee is lost (not that GCR
* diverges); the magnitude is then the distance-to-
* positive-realness, i.e. the shift/deflation needed to
* recover it.
* sigma_max -- power method on A^dag A (= A.HermOp)
*
* Endpoints:
* m_adj = m_light => A = M^dag M, Hermitian PD, positive-real by
* construction, lambda_min(H) = sigma_min^2 > 0 (the
* squared / CGNR operator).
* m_adj = 1 => A = PV^dag M, the standard PVdagM operator.
*
* Env: MASS, M5, MOBIUS_B, MOBIUS_C, LS, CONFIG,
* MADJ_LIST (comma separated) OR MADJ_MIN / MADJ_MAX / MADJ_N (geometric).
*
* Caveat: lambda_min(H) via a shifted power method can be soft when it sits
* near zero over a dense low spectrum. The SIGN and the TREND across m_adj
* are the robust signal; confirm an individual near-zero value with a proper
* shifted Lanczos if it is load-bearing.
*/
#include <Grid/Grid.h>
using namespace std;
using namespace Grid;
//////////////////////////////////////////////////////////////////////
// A = PV^dag M : Op = _PV.Mdag . _Mat.M , AdjOp = _Mat.Mdag . _PV.M
//////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat;
Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){
Field tmp(in.Grid());
_Mat.M(in,tmp);
_PV.Mdag(tmp,out);
}
void AdjOp (const Field &in, Field &out){
Field tmp(in.Grid());
_PV.M(in,tmp);
_Mat.Mdag(tmp,out);
}
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){ // A^dag A
Field tmp(in.Grid());
Op(in,tmp);
AdjOp(tmp,out);
}
};
//////////////////////////////////////////////////////////////////////
// H = (A + A^dag)/2 for a general non-Hermitian LinearOperator A.
//////////////////////////////////////////////////////////////////////
template<class Field>
class HermitianPartLinOp : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_A;
public:
HermitianPartLinOp(LinearOperatorBase<Field> &A): _A(A) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ HermOp(in,out); }
void AdjOp (const Field &in, Field &out){ HermOp(in,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
Field tmp(in.Grid());
_A.Op(in,out); // A in
_A.AdjOp(in,tmp); // A^dag in
out = 0.5*(out + tmp);
}
};
//////////////////////////////////////////////////////////////////////
// s*I - Op : power method on this gives s - lambda_min(Op) for Hermitian Op.
//////////////////////////////////////////////////////////////////////
template<class Field>
class ShiftedNegatedOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op;
RealD s;
public:
ShiftedNegatedOperator(RealD _s, LinearOperatorBase<Field> &Op): _Op(Op), s(_s) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ HermOp(in,out); }
void AdjOp (const Field &in, Field &out){ HermOp(in,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1=real(dot);
n2=norm2(out);
}
void HermOp(const Field &in, Field &out){
_Op.HermOp(in,out);
out = s*in - out;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
RealD mass = 0.00078;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
int Ls = 24;
std::string config("ckpoint_lat.1000");
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("M5")) M5 = atof(getenv("M5"));
if(getenv("MOBIUS_B")) b = atof(getenv("MOBIUS_B"));
if(getenv("MOBIUS_C")) c = atof(getenv("MOBIUS_C"));
if(getenv("LS")) Ls = atoi(getenv("LS"));
if(getenv("CONFIG")) config = std::string(getenv("CONFIG"));
// Adjoint-mass sweep: explicit list, or geometric MADJ_MIN..MADJ_MAX in MADJ_N steps.
std::vector<RealD> madj_list;
if(getenv("MADJ_LIST")){
std::stringstream ss(getenv("MADJ_LIST"));
std::string tok;
while(std::getline(ss,tok,',')) if(tok.size()) madj_list.push_back(std::stod(tok));
} else {
int N = getenv("MADJ_N") ? atoi(getenv("MADJ_N")) : 6;
RealD lo = getenv("MADJ_MIN") ? atof(getenv("MADJ_MIN")) : mass;
RealD hi = getenv("MADJ_MAX") ? atof(getenv("MADJ_MAX")) : 1.0;
GRID_ASSERT(N>=1);
for(int i=0;i<N;i++)
madj_list.push_back( (N==1) ? lo : lo*std::pow(hi/lo, double(i)/double(N-1)) );
}
// lambda_min(H) is the most-negative eigenvalue; resolved by Chebyshev-filtered
// Lanczos on H (a shifted power method cannot separate it from the dense low tail).
RealD HalfChebyLo = getenv("HALF_CHEBY_LO") ? atof(getenv("HALF_CHEBY_LO")) : 0.1;
RealD HalfChebyHi = getenv("HALF_CHEBY_HI") ? atof(getenv("HALF_CHEBY_HI")) : 0.0; // 0 => auto
int HalfChebyOrder = getenv("HALF_CHEBY_ORDER") ? atoi(getenv("HALF_CHEBY_ORDER")) : 61;
// Grid's Chebyshev filter MUST be odd order: only then is the polynomial positive
// for x < -1, the region the low/negative modes map to. An even order flips the
// sign there, the filtered operator explodes negative, and the IRL never converges.
if(HalfChebyOrder%2==0){ HalfChebyOrder++;
std::cout<<GridLogMessage<<"HALF_CHEBY_ORDER forced odd -> "<<HalfChebyOrder<<std::endl; }
int HalfNstop = getenv("HALF_NSTOP") ? atoi(getenv("HALF_NSTOP")) : 8;
int HalfNk = getenv("HALF_NK") ? atoi(getenv("HALF_NK")) : 24;
int HalfNm = getenv("HALF_NM") ? atoi(getenv("HALF_NM")) : 48;
RealD HalfTol = getenv("HALF_TOL") ? atof(getenv("HALF_TOL")) : 1.0e-4;
int HalfMaxIt = getenv("HALF_MAXIT") ? atoi(getenv("HALF_MAXIT")) : 20;
std::vector<int> lat = {48,48,48,96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
std::cout << GridLogMessage << "PARAM: MASS(light) " << mass << " M5 " << M5
<< " b " << b << " c " << c << " Ls " << Ls << std::endl;
std::cout << GridLogMessage << "PARAM: CONFIG " << config << std::endl;
LatticeGaugeField Umu(UGrid);
FieldMetaData header;
std::cout << GridLogMessage << "Reading gauge field " << config << std::endl;
NerscIO::readConfiguration(Umu,header,config);
// Fixed light operator (never changes across the sweep).
MobiusFermionD Dlight(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid, mass, M5, b, c);
LatticeFermionD x(FGrid);
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "FINE HALF-PLANE SWEEP A(m_adj) = D_adj^dag D_light" << std::endl;
std::cout << GridLogMessage << " m_adj = " << mass << " => M^dag M (positive-real); m_adj = 1 => PVdagM" << std::endl;
std::cout << GridLogMessage << "=================================================" << std::endl;
for(auto madj : madj_list){
MobiusFermionD Dadj(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid, madj, M5, b, c);
PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> A(Dlight,Dadj); // A = Dadj^dag Dlight
HermitianPartLinOp<LatticeFermionD> H(A);
PowerMethod<LatticeFermionD> PM;
random(RNG5,x); RealD lamHmax = PM(H,x);
// lambda_min(H): most-negative eigenvalue via Chebyshev-filtered IRL on H.
// Cheby(lo,hi) amplifies eigenvalues below lo; with hi>=lambda_max(H) the most
// negative mode is amplified hardest, so IRL isolates the true bottom of the
// (possibly indefinite) spectrum where the shifted power method could not.
RealD fhi = (HalfChebyHi>0.0)? HalfChebyHi : 1.1*lamHmax;
Chebyshev<LatticeFermionD> Cheby(HalfChebyLo,fhi,HalfChebyOrder);
FunctionHermOp<LatticeFermionD> OpCheby(Cheby,H);
PlainHermOp<LatticeFermionD> OpPlain(H);
ImplicitlyRestartedLanczos<LatticeFermionD> IRL(OpCheby,OpPlain,HalfNstop,HalfNk,HalfNm,HalfTol,HalfMaxIt);
std::vector<RealD> heval(HalfNm);
std::vector<LatticeFermionD> hevec(HalfNm,FGrid);
int hNconv=0;
random(RNG5,x);
IRL.calc(heval,hevec,x,hNconv);
RealD lamHmin = (hNconv>0) ? heval[0] : 9.99e99;
for(int kk=0;kk<hNconv;kk++) lamHmin = std::min(lamHmin, heval[kk]);
std::cout << GridLogMessage << " (IRL H-bottom: " << hNconv
<< " converged, most-negative eval " << lamHmin << ")" << std::endl;
random(RNG5,x); RealD sigmax2 = PM(A,x); // A.HermOp = A^dag A
RealD sigmax = std::sqrt(sigmax2);
bool posreal = (lamHmin > 0.0);
RealD ratefac = posreal ? std::sqrt(1.0 - lamHmin*lamHmin/sigmax2) : 0.0; // EES per-iter
RealD iters8 = (posreal && ratefac < 1.0) ? std::log(1.0e-8)/std::log(ratefac) : 0.0;
std::cout << GridLogMessage << "HALFPLANE: m_adj " << madj
<< " lambda_min(H) " << lamHmin
<< " lambda_max(H) " << lamHmax
<< " sigma_max " << sigmax
<< " positive_real " << (posreal ? "YES" : "NO ")
<< (posreal
? (" EES_rate " + std::to_string(ratefac) + " EES_iters(1e-8) " + std::to_string(iters8))
: (" margin_below_zero " + std::to_string(-lamHmin) + " (EES guarantee lost)"))
<< std::endl;
}
std::cout << GridLogMessage << "=================================================" << std::endl;
std::cout << GridLogMessage << "Reading: lambda_min(H) > 0 => EES guarantees GCR at the quoted rate." << std::endl;
std::cout << GridLogMessage << " crossing to < 0 as m_adj -> 1 marks loss of positive-realness." << std::endl;
std::cout << GridLogMessage << " (non-normality: eigenvalues may still be right-half-plane.)" << std::endl;
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
+613
View File
@@ -0,0 +1,613 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_mrhs_3level.cc
Copyright (C) 2026
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
// MultiRHS (valence) THREE-level multigrid for PVdagM.
//
// This is exactly the plain three-level algorithm of Example_pvdagm_3level_SVDdefl.cc
// with L3_DEFL=0 (NO deflation), applied to the enlarged block-diagonal mRHS system:
// the coarse and coarse-coarse levels run a SINGLE Krylov (one GCR polynomial, inner
// products summed over rhs) on the packed 6D mrhs fields, so both coarse levels batch
// through GEMM (MultiGeneralCoarsenedMatrix) -- the valence throughput win at BOTH levels.
//
// Level structure (each coarse level is a single-field PGCR on a packed 6D mrhs field):
// L1 (fine) : std::vector<LatticeFermionD>, MrhsPGCRNonHermitian on PVdagM,
// preconditioned by the L1->L2 mrhs V-cycle (MrhsTwoLevelMG).
// L2 (coarse) : 6D mrhs coarse field, PGCR, preconditioned by the L2->L3 mrhs
// V-cycle (MrhsCoarseThreeLevelPrec) -- coarse-coarse correction + coarse smoother.
// L3 (coarse-coarse): 6D mrhs coarse-coarse field, PGCR (the innermost solve).
//
// RAW-NULL DISCIPLINE (critical -- see project_block_orthogonalise_leak): the L2->L3
// aggregation MUST be built from RAW fine near-null vectors (pre block-GS). We take a
// raw copy of the loaded subspace BEFORE the L1->L2 CoarsenOperator (which block-
// orthonormalises in place) and project THAT. Guards print ||<psi|psi> - I||: ~0.23 =
// content preserved, ~N_coarse = the e_k leak is back.
//
// Env: MASS SUBSPACE_FILE NRHS
// BLOCK (dotted, default 2.2.2.2) BLOCK2 (dotted, default 2.2.3.3)
// FineSmootherShift FineSmootherOrder
// CoarseSmootherShift CoarseSmootherNstep
// CoarseSolverTol CoarseSolverOrder
// L3_TOL L3_MAXIT L3_NSTEP
// OuterMmax OuterNstep OuterTol
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
using namespace std;
using namespace Grid;
RealD FineSmootherShift = 0.1;
int FineSmootherOrder = 16;
RealD CoarseSmootherShift = 0.1;
int CoarseSmootherNstep = 4;
RealD CoarseSolverTol = 0.03;
int CoarseSolverOrder = 200;
RealD L3Tol = 2.5e-1;
int L3MaxIt = 50;
int L3Nstep = 50;
RealD OuterTol = 1.0e-8;
int OuterMmax = 8;
int OuterNstep = 8;
int Nrhs = 12;
RealD mass = 0.00078;
void ParseEnvironment(void)
{
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("FineSmootherShift")) FineSmootherShift = atof(getenv("FineSmootherShift"));
if(getenv("FineSmootherOrder")) FineSmootherOrder = atoi(getenv("FineSmootherOrder"));
if(getenv("CoarseSmootherShift"))CoarseSmootherShift= atof(getenv("CoarseSmootherShift"));
if(getenv("CoarseSmootherNstep"))CoarseSmootherNstep= atoi(getenv("CoarseSmootherNstep"));
if(getenv("CoarseSolverTol")) CoarseSolverTol = atof(getenv("CoarseSolverTol"));
if(getenv("CoarseSolverOrder")) CoarseSolverOrder = atoi(getenv("CoarseSolverOrder"));
if(getenv("L3_TOL")) L3Tol = atof(getenv("L3_TOL"));
if(getenv("L3_MAXIT")) L3MaxIt = atoi(getenv("L3_MAXIT"));
if(getenv("L3_NSTEP")) L3Nstep = atoi(getenv("L3_NSTEP"));
if(getenv("OuterTol")) OuterTol = atof(getenv("OuterTol"));
if(getenv("OuterMmax")) OuterMmax = atoi(getenv("OuterMmax"));
if(getenv("OuterNstep")) OuterNstep = atoi(getenv("OuterNstep"));
if(getenv("NRHS")) Nrhs = atoi(getenv("NRHS"));
std::cout << GridLogMessage << "PARAM: MASS " << mass << std::endl;
std::cout << GridLogMessage << "PARAM: NRHS " << Nrhs << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherShift " << FineSmootherShift << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherOrder " << FineSmootherOrder << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherShift" << CoarseSmootherShift<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherNstep" << CoarseSmootherNstep<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverTol " << CoarseSolverTol << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverOrder " << CoarseSolverOrder << std::endl;
std::cout << GridLogMessage << "PARAM: L3_TOL " << L3Tol << std::endl;
std::cout << GridLogMessage << "PARAM: OuterMmax " << OuterMmax << std::endl;
std::cout << GridLogMessage << "PARAM: OuterNstep " << OuterNstep << std::endl;
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
//////////////////////////////////////////////////////////////////////
// A = PV^dag M (non-Hermitian), and shifted variant for smoothers.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(in,tmp); _Mat.Mdag(tmp,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ HermOp(in,out); ComplexD d=innerProduct(in,out); n1=real(d); n2=norm2(out); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
RealD shift;
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(tmp,out); _Mat.Mdag(in,tmp); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
// Generic shift wrapper (for the coarse-level smoother on the 6D mrhs coarse operator).
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op; RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : _Op(Op), shift(_shift) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in,out); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
//////////////////////////////////////////////////////////////////////
// mrhs interfaces + single-polynomial mrhs PGCR (verbatim from Example_pvdagm_mrhs.cc):
// reductions summed over rhs -> one alpha/beta per step for the enlarged system.
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsLinearFunction {
public:
virtual void operator()(std::vector<Field> &in, std::vector<Field> &out) = 0;
};
template<class Field>
class MrhsPGCRNonHermitian {
public:
RealD Tolerance; Integer MaxIterations; int mmax,nstep,steps,level;
int ZeroGuess = 0; int FirstCycle = 0; // caller contract: zero guess => first-cycle r0 = src
std::string name = "Level 1";
LinearOperatorBase<Field> &Linop;
MrhsLinearFunction<Field> &Preconditioner;
void Level(int lv){ name = "Level " + std::to_string(lv); level=lv; }
void Name(std::string n){ name = n; }
void SetZeroGuess(int z){ ZeroGuess=z; }
MrhsPGCRNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,MrhsLinearFunction<Field> &Prec,int _mmax,int _nstep)
: Tolerance(tol),MaxIterations(maxit),Linop(_Linop),Preconditioner(Prec),mmax(_mmax),nstep(_nstep){ level=1; }
static RealD vnorm2(std::vector<Field> &x){ RealD s=0; for(auto &f:x) s+=norm2(f); return s; }
static ComplexD vinnerProduct(std::vector<Field> &x,std::vector<Field> &y){ ComplexD s(0); for(int r=0;r<(int)x.size();r++) s+=innerProduct(x[r],y[r]); return s; }
static void vaxpy(std::vector<Field> &z,ComplexD a,std::vector<Field> &x,std::vector<Field> &y){ for(int r=0;r<(int)z.size();r++) axpy(z[r],a,x[r],y[r]); }
void vOp(std::vector<Field> &in,std::vector<Field> &out){ for(int r=0;r<(int)in.size();r++) Linop.Op(in[r],out[r]); }
void operator()(std::vector<Field> &src,std::vector<Field> &psi){
RealD cp,ssq,rsq; int nrhs=src.size(); GridBase *grid=src[0].Grid();
ssq=vnorm2(src); rsq=Tolerance*Tolerance*ssq;
std::vector<Field> r(nrhs,grid);
GridStopWatch T; T.Start(); steps=0; FirstCycle=1;
for(int k=0;k<MaxIterations;k++){
cp=GCRnStep(src,psi,rsq);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR("<<mmax<<","<<nstep<<") "<<steps<<" steps cp = "<<cp<<" target "<<rsq<<std::endl;
if(cp<rsq){
T.Stop(); vOp(psi,r); for(int rr=0;rr<nrhs;rr++) axpy(r[rr],-1.0,src[rr],r[rr]);
RealD tr=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR: Converged on iteration "<<steps
<<" computed residual "<<std::sqrt(cp/ssq)<<" true residual "<<std::sqrt(tr/ssq)<<" target "<<Tolerance<<std::endl;
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR Time elapsed: Total "<<T.Elapsed()<<std::endl;
for(int rr=0;rr<nrhs;rr++){ RealD rn=std::sqrt(norm2(r[rr])/norm2(src[rr])); std::cout<<GridLogMessage<<"MrhsPGCR per-rhs true residual["<<rr<<"] = "<<rn<<std::endl; }
return;
}
}
std::cout<<GridLogMessage<<"MrhsPGCR: did not converge"<<std::endl;
}
RealD GCRnStep(std::vector<Field> &src,std::vector<Field> &psi,RealD rsq){
RealD cp; ComplexD a,b,rq; RealD zAAz; int nrhs=src.size(); GridBase *grid=src[0].Grid();
std::vector<Field> r(nrhs,grid),z(nrhs,grid),Az(nrhs,grid);
std::vector< std::vector<Field> > q(mmax,std::vector<Field>(nrhs,grid));
std::vector< std::vector<Field> > p(mmax,std::vector<Field>(nrhs,grid));
std::vector<RealD> qq(mmax);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR nStep("<<nstep<<")"<<std::endl;
if (ZeroGuess && FirstCycle) { for(int rr=0;rr<nrhs;rr++){ psi[rr]=Zero(); r[rr]=src[rr]; } }
else { vOp(psi,Az); for(int rr=0;rr<nrhs;rr++) r[rr]=src[rr]-Az[rr]; }
FirstCycle=0;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
p[0]=z; q[0]=Az; qq[0]=zAAz; cp=vnorm2(r);
for(int k=0;k<nstep;k++){
steps++; int kp=k+1, peri_k=k%mmax, peri_kp=kp%mmax;
rq=vinnerProduct(q[peri_k],r); a=rq/qq[peri_k];
vaxpy(psi,a,p[peri_k],psi); vaxpy(r,-a,q[peri_k],r); cp=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR step["<<steps<<"] resid "<<cp<<" target "<<rsq<<std::endl;
if((k==nstep-1)||(cp<rsq)) return cp;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
q[peri_kp]=Az; p[peri_kp]=z;
int northog=((kp)>(mmax-1))?(mmax-1):(kp);
for(int back=0;back<northog;back++){ int peri_back=(k-back)%mmax; GRID_ASSERT((k-back)>=0);
b=-real(vinnerProduct(q[peri_back],Az))/qq[peri_back];
vaxpy(p[peri_kp],b,p[peri_back],p[peri_kp]); vaxpy(q[peri_kp],b,q[peri_back],q[peri_kp]); }
qq[peri_kp]=vnorm2(q[peri_kp]);
}
GRID_ASSERT(0); return cp;
}
};
//////////////////////////////////////////////////////////////////////
// L2->L3 mrhs V-cycle: a LinearFunction on the 6D mrhs COARSE field.
// Mirrors Example_pvdagm_mrhs.cc's MrhsTwoLevelMG one level down, and the
// single-RHS MGPreconditioner of Example_pvdagm_3level_SVDdefl.cc:
// out = in (trivial pre)
// r = in - A_coarse out
// restrict (unpack 6D coarse -> blockProject -> pack 6D coarse-coarse)
// ONE coarse-coarse solve (L3, GEMM)
// prolong (unpack -> blockPromote -> pack); out += correction
// r = in - A_coarse out
// coarse smoother (shifted 6D coarse op); out += smooth(r)
//////////////////////////////////////////////////////////////////////
template<class CoarseField, class CoarseCoarseField>
class MrhsCoarseThreeLevelPrec : public LinearFunction<CoarseField> {
public:
LinearOperatorBase<CoarseField> &_CoarseOp; // mrhs coarse op (6D)
LinearFunction<CoarseField> &_CoarseSmoother; // shifted 6D coarse smoother
MultiRHSBlockProject<CoarseField> &_Projector; // L2->L3 (vector-based)
LinearFunction<CoarseCoarseField> &_CoarseCoarseSolve; // L3 solve (6D cc)
GridBase *_Coarse5d, *_CoarseCoarse5d, *_CoarseCoarseMrhs;
int _nrhs;
MrhsCoarseThreeLevelPrec(LinearOperatorBase<CoarseField> &CoarseOp,
LinearFunction<CoarseField> &CoarseSmoother,
MultiRHSBlockProject<CoarseField> &Projector,
LinearFunction<CoarseCoarseField> &CoarseCoarseSolve,
GridBase *Coarse5d, GridBase *CoarseCoarse5d, GridBase *CoarseCoarseMrhs, int nrhs)
: _CoarseOp(CoarseOp), _CoarseSmoother(CoarseSmoother), _Projector(Projector),
_CoarseCoarseSolve(CoarseCoarseSolve),
_Coarse5d(Coarse5d), _CoarseCoarse5d(CoarseCoarse5d), _CoarseCoarseMrhs(CoarseCoarseMrhs), _nrhs(nrhs) {}
using LinearFunction<CoarseField>::operator();
virtual void operator()(const CoarseField &in, CoarseField &out) {
int nrhs=_nrhs; double t;
CoarseField vec1(in.Grid());
CoarseField vec2(in.Grid());
// trivial pre-smoother
out = in;
// residual (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
// restrict: unpack 6D coarse -> vector<Coarse> -> blockProject -> vector<CoarseCoarse> -> pack 6D cc
std::vector<CoarseField> csplit(nrhs,_Coarse5d);
std::vector<CoarseCoarseField> ccsplit(nrhs,_CoarseCoarse5d);
CoarseCoarseField CCsrc(_CoarseCoarseMrhs);
CoarseCoarseField CCsol(_CoarseCoarseMrhs);
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(csplit[r],vec1,r,0);
_Projector.blockProject(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(ccsplit[r],CCsrc,r,0);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 restrict took "<<t/1000.0<<"ms"<<std::endl;
// L3 solve (6D coarse-coarse, GEMM)
t=-usecond();
CCsol=Zero();
_CoarseCoarseSolve(CCsrc,CCsol);
t+=usecond();
std::cout<<GridLogMessage<<"L3 coarse-coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
// prolong: unpack 6D cc -> blockPromote -> pack 6D coarse; add correction
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(ccsplit[r],CCsol,r,0);
_Projector.blockPromote(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(csplit[r],vec1,r,0);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 prolong took "<<t/1000.0<<"ms"<<std::endl;
// residual + coarse smoother (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
vec2=Zero();
_CoarseSmoother(vec1,vec2);
add(out,out,vec2);
}
};
//////////////////////////////////////////////////////////////////////
// L1->L2 mrhs V-cycle (verbatim from Example_pvdagm_mrhs.cc):
// per-rhs fine smoother + batched restriction + ONE coarse solve + batched prolong.
// The coarse solve passed in is now itself three-level (preconditioned by L2->L3).
//////////////////////////////////////////////////////////////////////
template<class FineField, class MrhsCoarseVector, class FineSmoother>
class MrhsTwoLevelMG : public MrhsLinearFunction<FineField> {
public:
typedef MrhsCoarseVector CoarseVector;
LinearOperatorBase<FineField> &_FineOperator;
FineSmoother &_PostSmoother;
MultiRHSBlockProject<FineField> &_Projector;
LinearFunction<CoarseVector> &_CoarseSolve;
GridBase *_CoarseGrid, *_CoarseGridMrhs;
MrhsTwoLevelMG(LinearOperatorBase<FineField> &FineOp, FineSmoother &Post,
MultiRHSBlockProject<FineField> &Projector, LinearFunction<CoarseVector> &CoarseSolve,
GridBase *CoarseGrid, GridBase *CoarseGridMrhs)
: _FineOperator(FineOp),_PostSmoother(Post),_Projector(Projector),_CoarseSolve(CoarseSolve),
_CoarseGrid(CoarseGrid),_CoarseGridMrhs(CoarseGridMrhs){}
virtual void operator()(std::vector<FineField> &in, std::vector<FineField> &out){
int nrhs=in.size(); GridBase *fgrid=in[0].Grid(); double t;
std::vector<FineField> vec1(nrhs,fgrid),vec2(nrhs,fgrid);
for(int r=0;r<nrhs;r++) out[r]=in[r];
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
std::vector<CoarseVector> Csrc_split(nrhs,_CoarseGrid), Csol_split(nrhs,_CoarseGrid);
CoarseVector CsrcMrhs(_CoarseGridMrhs), CsolMrhs(_CoarseGridMrhs);
t=-usecond();
_Projector.blockProject(vec1,Csrc_split);
for(int r=0;r<nrhs;r++) InsertSliceFast(Csrc_split[r],CsrcMrhs,r,0);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs project+pack took "<<t/1000.0<<"ms"<<std::endl;
t=-usecond(); CsolMrhs=Zero(); _CoarseSolve(CsrcMrhs,CsolMrhs); t+=usecond();
std::cout<<GridLogMessage<<"Mrhs coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(Csol_split[r],CsolMrhs,r,0);
_Projector.blockPromote(vec1,Csol_split);
for(int r=0;r<nrhs;r++) add(out[r],out[r],vec1[r]);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs unpack+promote took "<<t/1000.0<<"ms"<<std::endl;
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
t=-usecond();
for(int r=0;r<nrhs;r++){ vec2[r]=Zero(); _PostSmoother(vec1[r],vec2[r]); add(out[r],out[r],vec2[r]); }
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs post-smooth took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
ParseEnvironment();
const int Ls=24; RealD M5=1.8, b=1.5, c=0.5;
const int nbasis=60; const int nrhs=Nrhs;
GRID_ASSERT(nrhs % vComplex::Nsimd() == 0);
std::vector<int> lat_size {48,48,48,96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 blocking (default 2^4)
Coordinate clatt = lat_size;
Coordinate Block({2,2,2,2});
if ( getenv("BLOCK") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK")),Block); GRID_ASSERT(Block.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(lat_size[d]%Block[d]==0); clatt[d]=lat_size[d]/Block[d]; }
std::cout << GridLogMessage << "Block " << Block << " coarse lattice " << clatt << std::endl;
// Level 2 blocking (default 2,2,3,3) -- matches Example_pvdagm_3level_SVDdefl
Coordinate cclatt = clatt;
Coordinate Block2({2,2,3,3});
if ( getenv("BLOCK2") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK2")),Block2); GRID_ASSERT(Block2.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(clatt[d]%Block2[d]==0); cclatt[d]=clatt[d]/Block2[d]; }
std::cout << GridLogMessage << "Block2 " << Block2 << " coarse-coarse lattice " << cclatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(cclatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// 6D mrhs grids: rhs is dim 0, SIMD across rhs (pattern: Test_general_coarse_hdcg_phys48.cc)
Coordinate mpi=GridDefaultMpi();
Coordinate rhMpi ({1,1,mpi[0],mpi[1],mpi[2],mpi[3]});
Coordinate rhSimd({vComplex::Nsimd(),1,1,1,1,1});
Coordinate rhLatt ({nrhs,1,clatt[0], clatt[1], clatt[2], clatt[3]});
Coordinate rhLatt2({nrhs,1,cclatt[0],cclatt[1],cclatt[2],cclatt[3]});
GridCartesian *CoarseMrhs = new GridCartesian(rhLatt, rhSimd,rhMpi);
GridCartesian *CoarseCoarseMrhs = new GridCartesian(rhLatt2,rhSimd,rhMpi);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b,c);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
// Level 1 tensor types
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef MultiGeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> MrhsLittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
// Level 2 tensor types (coarsening deepens the nest by one iScalar -- see CLAUDE.md)
typedef CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> LittleDiracOperatorL2;
typedef MultiGeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> MrhsLittleDiracOperatorL2;
typedef LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,nbasis> SubspaceL2;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(FineSmootherShift,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom (Coarse5d);
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d); // 33-point at L2->L3, matching SVDdefl
//////////////////////////////////////////////////////////////////////
// Subspace: load RAW (no Orthogonalise!), or generate.
//////////////////////////////////////////////////////////////////////
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
uint64_t file_exists=0;
if ( UGrid->IsBoss() ){ std::ifstream f(subspace_file); file_exists=f.good()?1:0; }
UGrid->GlobalSum(file_exists);
const int cb=0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ){
std::cout << GridLogMessage << "*** Loading subspace from disk (kept RAW) ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
saveSubspace(AggregatesGCR.subspace, subspace_file);
}
// RAW copy of the fine null vectors BEFORE CoarsenOperator block-orthonormalises in place.
std::vector<LatticeFermionD> rawNull(nbasis,FGrid);
for(int k=0;k<nbasis;k++) rawNull[k]=AggregatesGCR.subspace[k];
//////////////////////////////////////////////////////////////////////
// Coarsen L1->L2 and L2->L3 with SINGLE-RHS machinery, import into the mrhs
// operators via CopyMatrix. The single-RHS L1->L2 coarse operator must stay
// alive to be the "fine" operator for the L2->L3 coarsening, so BOTH single-RHS
// ops (and their padded _A) live in one scope and free together. [MEMORY: this
// is the setup peak -- L1->L2 padded _A (~large at 2^4) + L2->L3 padded _A.]
//////////////////////////////////////////////////////////////////////
MrhsLittleDiracOperator mrhsLittleDiracOpPV(geom, CoarseMrhs);
MrhsLittleDiracOperatorL2 mrhsLittleDiracOpL2(geom2, CoarseCoarseMrhs);
MultiRHSBlockProject<LatticeFermionD> MrhsProjector;
MultiRHSBlockProject<CoarseVector> MrhsProjectorL2;
{
// --- L1->L2 single-RHS coarse operator (kept alive for the L2->L3 coarsening) ---
LittleDiracOperator LittleDiracOpPV(geom,FGrid,Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesGCR); // orthonormalises AggregatesGCR.subspace in place
mrhsLittleDiracOpPV.CopyMatrix(LittleDiracOpPV);
MrhsProjector.Allocate(nbasis,FGrid,Coarse5d);
MrhsProjector.ImportBasis(AggregatesGCR.subspace); // orthonormalised, matches the coarse op
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
// --- psi_coarse = P^dag (RAW fine null) -> Galerkin images, NOT e_k ---
std::vector<CoarseVector> psi_coarse(nbasis,Coarse5d);
for(int k=0;k<nbasis;k++) AggregatesGCR.ProjectToSubspace(psi_coarse[k], rawNull[k]);
rawNull.clear(); rawNull.shrink_to_fit();
{
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_coarse[i],psi_coarse[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_coarse|psi_coarse> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_coarse)="<<std::sqrt((double)Coarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
// --- L2->L3 single-RHS coarsening (coarsen the single-RHS LinOpCoarse) ---
SubspaceL2 AggregatesL2(CoarseCoarse5d,Coarse5d,cb);
for(int k=0;k<nbasis;k++) AggregatesL2.subspace[k]=psi_coarse[k];
LittleDiracOperatorL2 LittleDiracOpL2(geom2,Coarse5d,CoarseCoarse5d);
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
mrhsLittleDiracOpL2.CopyMatrix(LittleDiracOpL2);
MrhsProjectorL2.Allocate(nbasis,Coarse5d,CoarseCoarse5d);
MrhsProjectorL2.ImportBasis(AggregatesL2.subspace); // orthonormalised by CoarsenOperator
// --- guard psi_cc (RAW psi_coarse; AggregatesL2 holds a separate orthonormalised copy) ---
{
std::vector<CoarseCoarseVector> psi_cc(nbasis,CoarseCoarse5d);
for(int k=0;k<nbasis;k++) AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_cc[i],psi_cc[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_cc|psi_cc> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_cc)="<<std::sqrt((double)CoarseCoarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
} // both single-RHS ops + padded _A + AggregatesL2 + psi_coarse freed here
NonHermitianLinearOperator<MrhsLittleDiracOperator,CoarseVector> mrhsLinOpCoarse(mrhsLittleDiracOpPV);
NonHermitianLinearOperator<MrhsLittleDiracOperatorL2,CoarseCoarseVector> mrhsLinOpCC(mrhsLittleDiracOpL2);
//////////////////////////////////////////////////////////////////////
// Solvers, innermost first.
//////////////////////////////////////////////////////////////////////
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<CoarseCoarseVector> simpleCC;
TrivialPrecon<LatticeFermionD> simple_fine;
// L3 (coarse-coarse) solve: PGCR on the 6D cc operator
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
L3PGCR(L3Tol,L3MaxIt,mrhsLinOpCC,simpleCC,L3Nstep,L3Nstep);
L3PGCR.Level(3);
L3PGCR.Name("CCouter");
L3PGCR.SetZeroGuess(1); // caller zeroes CCsol
// L2 coarse smoother: shifted 6D coarse op, fixed nstep
ShiftedLinearOperator<CoarseVector> ShiftedMrhsCoarse(CoarseSmootherShift, mrhsLinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
CoarseSmootherGCR(0.01,1,ShiftedMrhsCoarse,simpleC,CoarseSmootherNstep,CoarseSmootherNstep);
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
CoarseSmootherGCR.SetZeroGuess(1); // caller zeroes vec2
// L2->L3 V-cycle preconditioner (operates on 6D coarse field)
MrhsCoarseThreeLevelPrec<CoarseVector,CoarseCoarseVector>
L2to3Precon(mrhsLinOpCoarse, CoarseSmootherGCR, MrhsProjectorL2, L3PGCR,
Coarse5d, CoarseCoarse5d, CoarseCoarseMrhs, nrhs);
// L2 coarse solve: PGCR on 6D coarse op, preconditioned by the L2->L3 V-cycle
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
L2PGCR(CoarseSolverTol, CoarseSolverOrder/16, mrhsLinOpCoarse, L2to3Precon, 16, 16);
L2PGCR.Level(2);
L2PGCR.Name("Couter");
L2PGCR.SetZeroGuess(1); // caller zeroes CsolMrhs
// Fine smoother (per-rhs, looped in the L1->L2 V-cycle)
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD>
SmootherGCR(0.0,1,ShiftedPVdagM,simple_fine,FineSmootherOrder,FineSmootherOrder);
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
SmootherGCR.SetZeroGuess(1); // caller zeroes vec2[r]
// L1->L2 V-cycle (fine); its coarse solve is the three-level L2PGCR
typedef PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> FineSmoother_t;
MrhsTwoLevelMG<LatticeFermionD,CoarseVector,FineSmoother_t>
ThreeLevelPrecon(PVdagM, SmootherGCR, MrhsProjector, L2PGCR, Coarse5d, CoarseMrhs);
// Outer mrhs solve
MrhsPGCRNonHermitian<LatticeFermionD>
L1PGCR(OuterTol,1000,PVdagM,ThreeLevelPrecon,OuterMmax,OuterNstep);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
L1PGCR.SetZeroGuess(1); // sol[r]=Zero() at source setup
//////////////////////////////////////////////////////////////////////
// Sources and solve
//////////////////////////////////////////////////////////////////////
std::vector<LatticeFermionD> src(nrhs,FGrid), sol(nrhs,FGrid);
for(int r=0;r<nrhs;r++){ gaussian(RNG5,src[r]); sol[r]=Zero(); }
std::cout << GridLogMessage << "**********************************************" << std::endl;
std::cout << GridLogMessage << " MultiRHS THREE-level solve: " << nrhs << " RHS " << std::endl;
std::cout << GridLogMessage << "**********************************************" << std::endl;
GridStopWatch w; w.Start();
L1PGCR(src,sol);
w.Stop();
std::cout << GridLogMessage << "MultiRHS 3-level solve total " << w.Elapsed()
<< " (per RHS: " << w.useconds()/1.0e6/nrhs << " s)" << std::endl;
{ LatticeFermionD Ax(FGrid); RealD worst=0.0;
for(int r=0;r<nrhs;r++){ PVdagM.Op(sol[r],Ax); Ax=Ax-src[r];
RealD rn=std::sqrt(norm2(Ax)/norm2(src[r]));
std::cout << GridLogMessage << "FINAL: rhs["<<r<<"] true residual = " << rn << std::endl;
worst=std::max(worst,rn); }
std::cout << GridLogMessage << "FINAL: worst-case residual = " << worst << std::endl;
}
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
@@ -0,0 +1,663 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./examples/Example_pvdagm_mrhs_3level_DenseCoarseMatrix.cc
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
// MultiRHS (valence) THREE-level multigrid for PVdagM with a DENSE, EXACT,
// non-iterative coarse-coarse bottom -- the LIBRARY-CLASS successor of
// Example_pvdagm_mrhs_3level_dense.cc, which is FROZEN as the regression
// baseline / champion-provenance artifact (21.7 s/RHS at BLOCK=2.2.3.3,
// BLOCK2=8.4.2.4, nb60, CSO3/FSO6/CST0.04 on 36 Frontier nodes).
//
// The dense bottom is now Grid/algorithms/multigrid/DenseCoarseMatrix.h:
// - stencil -> dense DIRECT import (no probe assembly: rows are local data)
// + IMPORT CERTIFICATE (DENSE_IMPORT_SIGN=-1 flips convention, no rebuild)
// - split-K apply via GridBLAS.gemmBatched with explicit leading dimensions
// (DENSE_SPLITK chunks, default 32) -- the fig-11 software split-K
// - deviceVector / GridBLAS throughout the apply: platform-agnostic
//
// INTERCHANGE: same SLAB_FILE per-rank format as the frozen example (stem MUST
// encode cfg/mass/blocking/nbasis; the header guards only N/nrows/nbasis) and
// the same env-var set, so existing sbatch scripts drive either binary.
//
// A/B acceptance (old binary = control):
// slab-cached : outer counts match EXACTLY (identical apply data; split-K
// changes only fp32 reduction order); wall delta = split-K gain.
// fresh setup : outer equal-or-+-1 (import vs probe = rounding); VERIFY
// ~7e-4 both; setup delta = import gain (~93 s probe retired).
//
// Level structure, solvers, and tuning knobs are UNCHANGED from the frozen
// example. Env: MASS SUBSPACE_FILE NRHS BLOCK BLOCK2 FineSmootherShift/Order
// CoarseSmootherShift/Nstep CoarseSolverTol/Order DENSE_CC DENSE_CC_CHECK
// DENSE_SPLITK DENSE_DEVICE_SUM DENSE_IMPORT_SIGN DENSE_APPLY_PROFILE
// L3_TOL L3_MAXIT L3_NSTEP OuterMmax OuterNstep OuterTol
#include <Grid/Grid.h>
#include <Grid/lattice/PaddedCell.h>
#include <Grid/stencil/GeneralLocalStencil.h>
#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
#include <Grid/algorithms/multigrid/DenseCoarseMatrix.h>
#include <memory>
using namespace std;
using namespace Grid;
RealD FineSmootherShift = 0.1;
int FineSmootherOrder = 16;
RealD CoarseSmootherShift = 0.1;
int CoarseSmootherNstep = 4;
RealD CoarseSolverTol = 0.03;
int CoarseSolverOrder = 200;
RealD L3Tol = 2.5e-1;
int L3MaxIt = 50;
int L3Nstep = 50;
RealD OuterTol = 1.0e-8;
int OuterMmax = 8;
int OuterNstep = 8;
int Nrhs = 12;
int UseDenseCC = 1;
RealD mass = 0.00078;
void ParseEnvironment(void)
{
if(getenv("MASS")) mass = atof(getenv("MASS"));
if(getenv("FineSmootherShift")) FineSmootherShift = atof(getenv("FineSmootherShift"));
if(getenv("FineSmootherOrder")) FineSmootherOrder = atoi(getenv("FineSmootherOrder"));
if(getenv("CoarseSmootherShift"))CoarseSmootherShift= atof(getenv("CoarseSmootherShift"));
if(getenv("CoarseSmootherNstep"))CoarseSmootherNstep= atoi(getenv("CoarseSmootherNstep"));
if(getenv("CoarseSolverTol")) CoarseSolverTol = atof(getenv("CoarseSolverTol"));
if(getenv("CoarseSolverOrder")) CoarseSolverOrder = atoi(getenv("CoarseSolverOrder"));
if(getenv("L3_TOL")) L3Tol = atof(getenv("L3_TOL"));
if(getenv("L3_MAXIT")) L3MaxIt = atoi(getenv("L3_MAXIT"));
if(getenv("L3_NSTEP")) L3Nstep = atoi(getenv("L3_NSTEP"));
if(getenv("OuterTol")) OuterTol = atof(getenv("OuterTol"));
if(getenv("OuterMmax")) OuterMmax = atoi(getenv("OuterMmax"));
if(getenv("OuterNstep")) OuterNstep = atoi(getenv("OuterNstep"));
if(getenv("NRHS")) Nrhs = atoi(getenv("NRHS"));
if(getenv("DENSE_CC")) UseDenseCC = atoi(getenv("DENSE_CC"));
std::cout << GridLogMessage << "PARAM: MASS " << mass << std::endl;
std::cout << GridLogMessage << "PARAM: NRHS " << Nrhs << std::endl;
std::cout << GridLogMessage << "PARAM: DENSE_CC " << UseDenseCC << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherShift " << FineSmootherShift << std::endl;
std::cout << GridLogMessage << "PARAM: FineSmootherOrder " << FineSmootherOrder << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherShift" << CoarseSmootherShift<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSmootherNstep" << CoarseSmootherNstep<< std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverTol " << CoarseSolverTol << std::endl;
std::cout << GridLogMessage << "PARAM: CoarseSolverOrder " << CoarseSolverOrder << std::endl;
std::cout << GridLogMessage << "PARAM: L3_TOL " << L3Tol << std::endl;
std::cout << GridLogMessage << "PARAM: OuterMmax " << OuterMmax << std::endl;
std::cout << GridLogMessage << "PARAM: OuterNstep " << OuterNstep << std::endl;
}
template <class Field>
void saveSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacWriter SW(subspace[0].Grid()->IsBoss());
SW.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) SW.writeScidacFieldRecord(subspace[k], record);
SW.close();
#endif
}
template <class Field>
void loadSubspace(std::vector<Field> &subspace, std::string const fname){
#ifdef HAVE_LIME
Grid::emptyUserRecord record;
Grid::ScidacReader SR;
SR.open(fname);
for (int k = 0; k < (int)subspace.size(); k++) SR.readScidacFieldRecord(subspace[k], record);
SR.close();
#endif
}
//////////////////////////////////////////////////////////////////////
// A = PV^dag M (non-Hermitian), and shifted variant for smoothers.
//////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class PVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV) {};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(in,tmp); _Mat.Mdag(tmp,out); }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ HermOp(in,out); ComplexD d=innerProduct(in,out); n1=real(d); n2=norm2(out); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
template<class Matrix,class Field>
class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
Matrix &_Mat; Matrix &_PV;
public:
RealD shift;
ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
void Op (const Field &in, Field &out){ Field tmp(in.Grid()); _Mat.M(in,tmp); _PV.Mdag(tmp,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out){ Field tmp(in.Grid()); _PV.M(tmp,out); _Mat.Mdag(in,tmp); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp(const Field &in, Field &out){ Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
// Generic shift wrapper (for the coarse-level smoother on the 6D mrhs coarse operator).
template<class Field>
class ShiftedLinearOperator : public LinearOperatorBase<Field> {
LinearOperatorBase<Field> &_Op; RealD shift;
public:
ShiftedLinearOperator(RealD _shift, LinearOperatorBase<Field> &Op) : _Op(Op), shift(_shift) {}
void OpDiag (const Field &in, Field &out) { assert(0); }
void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
void OpDirAll (const Field &in, std::vector<Field> &out) { assert(0); }
void Op (const Field &in, Field &out) { _Op.Op(in,out); out = out + shift*in; }
void AdjOp (const Field &in, Field &out) { _Op.AdjOp(in,out); out = out + shift*in; }
void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
void HermOp (const Field &in, Field &out) { Field tmp(in.Grid()); Op(in,tmp); AdjOp(tmp,out); }
};
//////////////////////////////////////////////////////////////////////
// Dense CC solve on the PACKED 6D mrhs coarse-coarse field: drop-in
// for the L3 PGCR, delegating to the library DenseCoarseMatrix.
//////////////////////////////////////////////////////////////////////
template<class DenseType, class CoarseCoarseField>
class MrhsDenseCCSolve : public LinearFunction<CoarseCoarseField> {
public:
DenseType &_Dense;
GridBase *_CoarseCoarse5d;
int _nrhs;
MrhsDenseCCSolve(DenseType &D, GridBase *cc5d, int nrhs)
: _Dense(D), _CoarseCoarse5d(cc5d), _nrhs(nrhs) {}
using LinearFunction<CoarseCoarseField>::operator();
virtual void operator()(const CoarseCoarseField &in, CoarseCoarseField &out){
if ( getenv("DENSE_CC_CHECK") ) {
// Audit path: per-rhs 5D unpack so ApplyBatch can run the _Op defect
// check per rhs. ~50ms/call of slice/split overhead -- audit only.
CoarseCoarseField tmp(in.Grid());
tmp = in;
std::vector<CoarseCoarseField> split_in (_nrhs,_CoarseCoarse5d);
std::vector<CoarseCoarseField> split_out(_nrhs,_CoarseCoarse5d);
for(int r=0;r<_nrhs;r++) ExtractSliceFast(split_in[r], tmp, r, 0);
_Dense.ApplyBatch(split_in, split_out);
for(int r=0;r<_nrhs;r++) InsertSliceFast(split_out[r], out, r, 0);
} else {
_Dense.ApplyBatch6D(in, out, _nrhs);
}
}
};
//////////////////////////////////////////////////////////////////////
// mrhs interfaces + single-polynomial mrhs PGCR (verbatim from the
// frozen Example_pvdagm_mrhs_3level_dense.cc)
//////////////////////////////////////////////////////////////////////
template<class Field>
class MrhsLinearFunction {
public:
virtual void operator()(std::vector<Field> &in, std::vector<Field> &out) = 0;
};
template<class Field>
class MrhsPGCRNonHermitian {
public:
RealD Tolerance; Integer MaxIterations; int mmax,nstep,steps,level;
int ZeroGuess = 0; int FirstCycle = 0; // caller contract: zero guess => first-cycle r0 = src
std::string name = "Level 1";
LinearOperatorBase<Field> &Linop;
MrhsLinearFunction<Field> &Preconditioner;
void Level(int lv){ name = "Level " + std::to_string(lv); level=lv; }
void Name(std::string n){ name = n; }
void SetZeroGuess(int z){ ZeroGuess=z; }
MrhsPGCRNonHermitian(RealD tol,Integer maxit,LinearOperatorBase<Field> &_Linop,MrhsLinearFunction<Field> &Prec,int _mmax,int _nstep)
: Tolerance(tol),MaxIterations(maxit),Linop(_Linop),Preconditioner(Prec),mmax(_mmax),nstep(_nstep){ level=1; }
static RealD vnorm2(std::vector<Field> &x){ RealD s=0; for(auto &f:x) s+=norm2(f); return s; }
static ComplexD vinnerProduct(std::vector<Field> &x,std::vector<Field> &y){ ComplexD s(0); for(int r=0;r<(int)x.size();r++) s+=innerProduct(x[r],y[r]); return s; }
static void vaxpy(std::vector<Field> &z,ComplexD a,std::vector<Field> &x,std::vector<Field> &y){ for(int r=0;r<(int)z.size();r++) axpy(z[r],a,x[r],y[r]); }
void vOp(std::vector<Field> &in,std::vector<Field> &out){ for(int r=0;r<(int)in.size();r++) Linop.Op(in[r],out[r]); }
void operator()(std::vector<Field> &src,std::vector<Field> &psi){
RealD cp,ssq,rsq; int nrhs=src.size(); GridBase *grid=src[0].Grid();
ssq=vnorm2(src); rsq=Tolerance*Tolerance*ssq;
std::vector<Field> r(nrhs,grid);
GridStopWatch T; T.Start(); steps=0; FirstCycle=1;
for(int k=0;k<MaxIterations;k++){
cp=GCRnStep(src,psi,rsq);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR("<<mmax<<","<<nstep<<") "<<steps<<" steps cp = "<<cp<<" target "<<rsq<<std::endl;
if(cp<rsq){
T.Stop(); vOp(psi,r); for(int rr=0;rr<nrhs;rr++) axpy(r[rr],-1.0,src[rr],r[rr]);
RealD tr=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR: Converged on iteration "<<steps
<<" computed residual "<<std::sqrt(cp/ssq)<<" true residual "<<std::sqrt(tr/ssq)<<" target "<<Tolerance<<std::endl;
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR Time elapsed: Total "<<T.Elapsed()<<std::endl;
for(int rr=0;rr<nrhs;rr++){ RealD rn=std::sqrt(norm2(r[rr])/norm2(src[rr])); std::cout<<GridLogMessage<<"MrhsPGCR per-rhs true residual["<<rr<<"] = "<<rn<<std::endl; }
return;
}
}
std::cout<<GridLogMessage<<"MrhsPGCR: did not converge"<<std::endl;
}
RealD GCRnStep(std::vector<Field> &src,std::vector<Field> &psi,RealD rsq){
RealD cp; ComplexD a,b,rq; RealD zAAz; int nrhs=src.size(); GridBase *grid=src[0].Grid();
std::vector<Field> r(nrhs,grid),z(nrhs,grid),Az(nrhs,grid);
std::vector< std::vector<Field> > q(mmax,std::vector<Field>(nrhs,grid));
std::vector< std::vector<Field> > p(mmax,std::vector<Field>(nrhs,grid));
std::vector<RealD> qq(mmax);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR nStep("<<nstep<<")"<<std::endl;
if (ZeroGuess && FirstCycle) { for(int rr=0;rr<nrhs;rr++){ psi[rr]=Zero(); r[rr]=src[rr]; } }
else { vOp(psi,Az); for(int rr=0;rr<nrhs;rr++) r[rr]=src[rr]-Az[rr]; }
FirstCycle=0;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
p[0]=z; q[0]=Az; qq[0]=zAAz; cp=vnorm2(r);
for(int k=0;k<nstep;k++){
steps++; int kp=k+1, peri_k=k%mmax, peri_kp=kp%mmax;
rq=vinnerProduct(q[peri_k],r); a=rq/qq[peri_k];
vaxpy(psi,a,p[peri_k],psi); vaxpy(r,-a,q[peri_k],r); cp=vnorm2(r);
std::cout<<GridLogMessage<<std::string(level,'\t')<<" "<<name<<" MrhsPGCR step["<<steps<<"] resid "<<cp<<" target "<<rsq<<std::endl;
if((k==nstep-1)||(cp<rsq)) return cp;
Preconditioner(r,z); vOp(z,Az); zAAz=vnorm2(Az);
q[peri_kp]=Az; p[peri_kp]=z;
int northog=((kp)>(mmax-1))?(mmax-1):(kp);
for(int back=0;back<northog;back++){ int peri_back=(k-back)%mmax; GRID_ASSERT((k-back)>=0);
b=-real(vinnerProduct(q[peri_back],Az))/qq[peri_back];
vaxpy(p[peri_kp],b,p[peri_back],p[peri_kp]); vaxpy(q[peri_kp],b,q[peri_back],q[peri_kp]); }
qq[peri_kp]=vnorm2(q[peri_kp]);
}
GRID_ASSERT(0); return cp;
}
};
//////////////////////////////////////////////////////////////////////
// L2->L3 mrhs V-cycle: LinearFunction on the 6D mrhs COARSE field.
// The coarse-coarse solve slot takes EITHER the dense mrhs solve
// (DENSE_CC=1) or the L3 PGCR (DENSE_CC=0).
//////////////////////////////////////////////////////////////////////
template<class CoarseField, class CoarseCoarseField>
class MrhsCoarseThreeLevelPrec : public LinearFunction<CoarseField> {
public:
LinearOperatorBase<CoarseField> &_CoarseOp; // mrhs coarse op (6D)
LinearFunction<CoarseField> &_CoarseSmoother; // shifted 6D coarse smoother
MultiRHSBlockProject<CoarseField> &_Projector; // L2->L3 (vector-based)
LinearFunction<CoarseCoarseField> &_CoarseCoarseSolve; // L3 solve (6D cc)
GridBase *_Coarse5d, *_CoarseCoarse5d, *_CoarseCoarseMrhs;
int _nrhs;
MrhsCoarseThreeLevelPrec(LinearOperatorBase<CoarseField> &CoarseOp,
LinearFunction<CoarseField> &CoarseSmoother,
MultiRHSBlockProject<CoarseField> &Projector,
LinearFunction<CoarseCoarseField> &CoarseCoarseSolve,
GridBase *Coarse5d, GridBase *CoarseCoarse5d, GridBase *CoarseCoarseMrhs, int nrhs)
: _CoarseOp(CoarseOp), _CoarseSmoother(CoarseSmoother), _Projector(Projector),
_CoarseCoarseSolve(CoarseCoarseSolve),
_Coarse5d(Coarse5d), _CoarseCoarse5d(CoarseCoarse5d), _CoarseCoarseMrhs(CoarseCoarseMrhs), _nrhs(nrhs) {}
using LinearFunction<CoarseField>::operator();
virtual void operator()(const CoarseField &in, CoarseField &out) {
int nrhs=_nrhs; double t;
CoarseField vec1(in.Grid());
CoarseField vec2(in.Grid());
// trivial pre-smoother
out = in;
// residual (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
// restrict: unpack 6D coarse -> vector<Coarse> -> blockProject -> vector<CoarseCoarse> -> pack 6D cc
std::vector<CoarseField> csplit(nrhs,_Coarse5d);
std::vector<CoarseCoarseField> ccsplit(nrhs,_CoarseCoarse5d);
CoarseCoarseField CCsrc(_CoarseCoarseMrhs);
CoarseCoarseField CCsol(_CoarseCoarseMrhs);
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(csplit[r],vec1,r,0);
_Projector.blockProject(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(ccsplit[r],CCsrc,r,0);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 restrict took "<<t/1000.0<<"ms"<<std::endl;
// L3 solve (dense mrhs GEMM, or PGCR)
t=-usecond();
CCsol=Zero();
_CoarseCoarseSolve(CCsrc,CCsol);
t+=usecond();
std::cout<<GridLogMessage<<"L3 coarse-coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
// prolong: unpack 6D cc -> blockPromote -> pack 6D coarse; add correction
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(ccsplit[r],CCsol,r,0);
_Projector.blockPromote(csplit,ccsplit);
for(int r=0;r<nrhs;r++) InsertSliceFast(csplit[r],vec1,r,0);
add(out,out,vec1);
t+=usecond();
std::cout<<GridLogMessage<<"L2->L3 prolong took "<<t/1000.0<<"ms"<<std::endl;
// residual + coarse smoother (6D coarse)
_CoarseOp.Op(out,vec1); sub(vec1,in,vec1);
vec2=Zero();
_CoarseSmoother(vec1,vec2);
add(out,out,vec2);
}
};
//////////////////////////////////////////////////////////////////////
// L1->L2 mrhs V-cycle (verbatim from the frozen example)
//////////////////////////////////////////////////////////////////////
template<class FineField, class MrhsCoarseVector, class FineSmoother>
class MrhsTwoLevelMG : public MrhsLinearFunction<FineField> {
public:
typedef MrhsCoarseVector CoarseVector;
LinearOperatorBase<FineField> &_FineOperator;
FineSmoother &_PostSmoother;
MultiRHSBlockProject<FineField> &_Projector;
LinearFunction<CoarseVector> &_CoarseSolve;
GridBase *_CoarseGrid, *_CoarseGridMrhs;
MrhsTwoLevelMG(LinearOperatorBase<FineField> &FineOp, FineSmoother &Post,
MultiRHSBlockProject<FineField> &Projector, LinearFunction<CoarseVector> &CoarseSolve,
GridBase *CoarseGrid, GridBase *CoarseGridMrhs)
: _FineOperator(FineOp),_PostSmoother(Post),_Projector(Projector),_CoarseSolve(CoarseSolve),
_CoarseGrid(CoarseGrid),_CoarseGridMrhs(CoarseGridMrhs){}
virtual void operator()(std::vector<FineField> &in, std::vector<FineField> &out){
int nrhs=in.size(); GridBase *fgrid=in[0].Grid(); double t;
std::vector<FineField> vec1(nrhs,fgrid),vec2(nrhs,fgrid);
for(int r=0;r<nrhs;r++) out[r]=in[r];
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
std::vector<CoarseVector> Csrc_split(nrhs,_CoarseGrid), Csol_split(nrhs,_CoarseGrid);
CoarseVector CsrcMrhs(_CoarseGridMrhs), CsolMrhs(_CoarseGridMrhs);
t=-usecond();
_Projector.blockProject(vec1,Csrc_split);
for(int r=0;r<nrhs;r++) InsertSliceFast(Csrc_split[r],CsrcMrhs,r,0);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs project+pack took "<<t/1000.0<<"ms"<<std::endl;
t=-usecond(); CsolMrhs=Zero(); _CoarseSolve(CsrcMrhs,CsolMrhs); t+=usecond();
std::cout<<GridLogMessage<<"Mrhs coarse solve took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
t=-usecond();
for(int r=0;r<nrhs;r++) ExtractSliceFast(Csol_split[r],CsolMrhs,r,0);
_Projector.blockPromote(vec1,Csol_split);
for(int r=0;r<nrhs;r++) add(out[r],out[r],vec1[r]);
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs unpack+promote took "<<t/1000.0<<"ms"<<std::endl;
for(int r=0;r<nrhs;r++){ _FineOperator.Op(out[r],vec1[r]); sub(vec1[r],in[r],vec1[r]); }
t=-usecond();
for(int r=0;r<nrhs;r++){ vec2[r]=Zero(); _PostSmoother(vec1[r],vec2[r]); add(out[r],out[r],vec2[r]); }
t+=usecond(); std::cout<<GridLogMessage<<"Mrhs post-smooth took "<<t/1000.0<<"ms ("<<t/1000.0/nrhs<<"ms/rhs)"<<std::endl;
}
};
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
ParseEnvironment();
const int Ls=24; RealD M5=1.8, b=1.5, c=0.5;
const int nbasis=60; const int nrhs=Nrhs;
GRID_ASSERT(nrhs % vComplex::Nsimd() == 0);
std::vector<int> lat_size {48,48,48,96};
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
// Level 1 blocking (default 2^4)
Coordinate clatt = lat_size;
Coordinate Block({2,2,2,2});
if ( getenv("BLOCK") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK")),Block); GRID_ASSERT(Block.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(lat_size[d]%Block[d]==0); clatt[d]=lat_size[d]/Block[d]; }
std::cout << GridLogMessage << "Block " << Block << " coarse lattice " << clatt << std::endl;
// Level 2 blocking: SUPERCOARSE default 8,4,3,6 -> CC [3,6,8,8], the dense floor.
Coordinate cclatt = clatt;
Coordinate Block2({8,4,3,6});
if ( getenv("BLOCK2") ){ GridCmdOptionIntVector(std::string(getenv("BLOCK2")),Block2); GRID_ASSERT(Block2.size()==4); }
for(int d=0;d<4;d++){ GRID_ASSERT(clatt[d]%Block2[d]==0); cclatt[d]=clatt[d]/Block2[d]; }
std::cout << GridLogMessage << "Block2 " << Block2 << " coarse-coarse lattice " << cclatt << std::endl;
GridCartesian *Coarse4d = SpaceTimeGrid::makeFourDimGrid(clatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *Coarse5d = SpaceTimeGrid::makeFiveDimGrid(1,Coarse4d);
GridCartesian *CoarseCoarse4d = SpaceTimeGrid::makeFourDimGrid(cclatt, GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridCartesian *CoarseCoarse5d = SpaceTimeGrid::makeFiveDimGrid(1,CoarseCoarse4d);
// 6D mrhs grids: rhs is dim 0, SIMD across rhs
Coordinate mpi=GridDefaultMpi();
Coordinate rhMpi ({1,1,mpi[0],mpi[1],mpi[2],mpi[3]});
Coordinate rhSimd({vComplex::Nsimd(),1,1,1,1,1});
Coordinate rhLatt ({nrhs,1,clatt[0], clatt[1], clatt[2], clatt[3]});
Coordinate rhLatt2({nrhs,1,cclatt[0],cclatt[1],cclatt[2],cclatt[3]});
GridCartesian *CoarseMrhs = new GridCartesian(rhLatt, rhSimd,rhMpi);
GridCartesian *CoarseCoarseMrhs = new GridCartesian(rhLatt2,rhSimd,rhMpi);
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers({5,6,7,8});
LatticeGaugeField Umu(UGrid);
std::cout << GridLogMessage << "Reading gauge field" << std::endl;
FieldMetaData header;
std::string file("/ccs/home/poare/ckpoint_lat.1000");
NerscIO::readConfiguration(Umu,header,file);
MobiusFermionD Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,b,c);
MobiusFermionD Dpv (Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,1.0, M5,b,c);
typedef PVdagMLinearOperator<MobiusFermionD,LatticeFermionD> PVdagM_t;
typedef ShiftedPVdagMLinearOperator<MobiusFermionD,LatticeFermionD> ShiftedPVdagM_t;
// Level 1 tensor types
typedef GeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> LittleDiracOperator;
typedef MultiGeneralCoarsenedMatrix<vSpinColourVector,vTComplex,nbasis> MrhsLittleDiracOperator;
typedef LittleDiracOperator::CoarseVector CoarseVector;
typedef Aggregation<vSpinColourVector,vTComplex,nbasis> Subspace;
// Level 2 tensor types (coarsening deepens the nest by one iScalar)
typedef CoarseVector::vector_object CoarseSiteObj;
typedef iScalar<vTComplex> vTTComplex;
typedef GeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> LittleDiracOperatorL2;
typedef MultiGeneralCoarsenedMatrix<CoarseSiteObj,vTTComplex,nbasis> MrhsLittleDiracOperatorL2;
typedef LittleDiracOperatorL2::CoarseVector CoarseCoarseVector;
typedef Aggregation<CoarseSiteObj,vTTComplex,nbasis> SubspaceL2;
// The library dense bottom over the L2 coarse operator
typedef DenseCoarseMatrix<CoarseSiteObj,vTTComplex,nbasis> DenseCC_t;
PVdagM_t PVdagM(Ddwf,Dpv);
ShiftedPVdagM_t ShiftedPVdagM(FineSmootherShift,Ddwf,Dpv);
NextToNearestStencilGeometry5D geom (Coarse5d);
NextToNearestStencilGeometry5D geom2(CoarseCoarse5d);
//////////////////////////////////////////////////////////////////////
// Subspace: load RAW (no Orthogonalise!), or generate.
//////////////////////////////////////////////////////////////////////
std::string subspace_file = "/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/subspace_nb"
+ std::to_string(nbasis) + ".scidac";
if ( getenv("SUBSPACE_FILE") ) subspace_file = std::string(getenv("SUBSPACE_FILE"));
uint64_t file_exists=0;
if ( UGrid->IsBoss() ){ std::ifstream f(subspace_file); file_exists=f.good()?1:0; }
UGrid->GlobalSum(file_exists);
const int cb=0;
Subspace AggregatesGCR(Coarse5d,FGrid,cb);
if ( file_exists ){
std::cout << GridLogMessage << "*** Loading subspace from disk (kept RAW) ***" << std::endl;
loadSubspace(AggregatesGCR.subspace, subspace_file);
} else {
std::cout << GridLogMessage << "*** GCR subspace generation ***" << std::endl;
AggregatesGCR.CreateSubspaceGCR(RNG5,PVdagM,nbasis);
saveSubspace(AggregatesGCR.subspace, subspace_file);
}
// RAW copy of the fine null vectors BEFORE CoarsenOperator block-orthonormalises in place.
std::vector<LatticeFermionD> rawNull(nbasis,FGrid);
for(int k=0;k<nbasis;k++) rawNull[k]=AggregatesGCR.subspace[k];
//////////////////////////////////////////////////////////////////////
// Coarsen L1->L2 and L2->L3 with SINGLE-RHS machinery; import to mrhs via
// CopyMatrix. The L2 (coarse-coarse) single-RHS operator is HOISTED to
// main scope: DenseCoarseMatrix imports its stencil and uses its M for
// certificates, so it must stay alive for the whole run.
//////////////////////////////////////////////////////////////////////
MrhsLittleDiracOperator mrhsLittleDiracOpPV(geom, CoarseMrhs);
MrhsLittleDiracOperatorL2 mrhsLittleDiracOpL2(geom2, CoarseCoarseMrhs);
MultiRHSBlockProject<LatticeFermionD> MrhsProjector;
MultiRHSBlockProject<CoarseVector> MrhsProjectorL2;
LittleDiracOperatorL2 LittleDiracOpL2(geom2,Coarse5d,CoarseCoarse5d);
NonHermitianLinearOperator<LittleDiracOperatorL2,CoarseCoarseVector> LinOpCC5d(LittleDiracOpL2);
{
// --- L1->L2 single-RHS coarse operator (scoped: its padded _A is the memory peak) ---
LittleDiracOperator LittleDiracOpPV(geom,FGrid,Coarse5d);
LittleDiracOpPV.CoarsenOperator(PVdagM, AggregatesGCR); // orthonormalises AggregatesGCR.subspace in place
mrhsLittleDiracOpPV.CopyMatrix(LittleDiracOpPV);
MrhsProjector.Allocate(nbasis,FGrid,Coarse5d);
MrhsProjector.ImportBasis(AggregatesGCR.subspace);
NonHermitianLinearOperator<LittleDiracOperator,CoarseVector> LinOpCoarse(LittleDiracOpPV);
// --- psi_coarse = P^dag (RAW fine null) -> Galerkin images, NOT e_k ---
std::vector<CoarseVector> psi_coarse(nbasis,Coarse5d);
for(int k=0;k<nbasis;k++) AggregatesGCR.ProjectToSubspace(psi_coarse[k], rawNull[k]);
rawNull.clear(); rawNull.shrink_to_fit();
{
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_coarse[i],psi_coarse[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_coarse|psi_coarse> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_coarse)="<<std::sqrt((double)Coarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
// --- L2->L3 single-RHS coarsening ---
SubspaceL2 AggregatesL2(CoarseCoarse5d,Coarse5d,cb);
for(int k=0;k<nbasis;k++) AggregatesL2.subspace[k]=psi_coarse[k];
LittleDiracOpL2.CoarsenOperator(LinOpCoarse, AggregatesL2);
mrhsLittleDiracOpL2.CopyMatrix(LittleDiracOpL2);
MrhsProjectorL2.Allocate(nbasis,Coarse5d,CoarseCoarse5d);
MrhsProjectorL2.ImportBasis(AggregatesL2.subspace);
// --- guard psi_cc ---
{
std::vector<CoarseCoarseVector> psi_cc(nbasis,CoarseCoarse5d);
for(int k=0;k<nbasis;k++) AggregatesL2.ProjectToSubspace(psi_cc[k], psi_coarse[k]);
RealD s2=0.0;
for(int i=0;i<nbasis;i++) for(int j=0;j<nbasis;j++){
ComplexD sij=TensorRemove(innerProduct(psi_cc[i],psi_cc[j]));
ComplexD d=sij-(i==j?ComplexD(1.0):ComplexD(0.0)); s2+=real(d)*real(d)+imag(d)*imag(d);
}
std::cout<<GridLogMessage<<"GUARD: ||<psi_cc|psi_cc> - I||_F = "<<std::sqrt(s2)
<<" (~0.23 good; ~sqrt(N_cc)="<<std::sqrt((double)CoarseCoarse5d->gSites())<<" = e_k leak)"<<std::endl;
}
} // single-RHS FINE op + padded _A + AggregatesL2 + psi_coarse freed here
NonHermitianLinearOperator<MrhsLittleDiracOperator,CoarseVector> mrhsLinOpCoarse(mrhsLittleDiracOpPV);
NonHermitianLinearOperator<MrhsLittleDiracOperatorL2,CoarseCoarseVector> mrhsLinOpCC(mrhsLittleDiracOpL2);
//////////////////////////////////////////////////////////////////////
// DENSE coarse-coarse bottom: the LIBRARY class, constructed AFTER the
// fine coarsening frees its memory peak. Imports the stencil of the
// hoisted single-RHS LittleDiracOpL2 directly (no probing).
//////////////////////////////////////////////////////////////////////
std::unique_ptr<DenseCC_t> DenseCC;
std::unique_ptr<MrhsDenseCCSolve<DenseCC_t,CoarseCoarseVector>> MrhsDenseCC;
if (UseDenseCC) {
std::cout << GridLogMessage << "**********************************************" << std::endl;
std::cout << GridLogMessage << " Dense CC inverse setup (library DenseCoarseMatrix)" << std::endl;
std::cout << GridLogMessage << "**********************************************" << std::endl;
DenseCC.reset(new DenseCC_t(LittleDiracOpL2, CoarseCoarse5d));
MrhsDenseCC.reset(new MrhsDenseCCSolve<DenseCC_t,CoarseCoarseVector>(*DenseCC, CoarseCoarse5d, nrhs));
}
//////////////////////////////////////////////////////////////////////
// Solvers, innermost first.
//////////////////////////////////////////////////////////////////////
TrivialPrecon<CoarseVector> simpleC;
TrivialPrecon<CoarseCoarseVector> simpleCC;
TrivialPrecon<LatticeFermionD> simple_fine;
// L3 (coarse-coarse) iterative solve: PGCR on the 6D cc operator (DENSE_CC=0 branch)
PrecGeneralisedConjugateResidualNonHermitian<CoarseCoarseVector>
L3PGCR(L3Tol,L3MaxIt,mrhsLinOpCC,simpleCC,L3Nstep,L3Nstep);
L3PGCR.Level(3);
L3PGCR.Name("CCouter");
LinearFunction<CoarseCoarseVector> *ccSolve;
if (UseDenseCC) ccSolve = MrhsDenseCC.get();
else ccSolve = &L3PGCR;
// L2 coarse smoother: shifted 6D coarse op, fixed nstep
ShiftedLinearOperator<CoarseVector> ShiftedMrhsCoarse(CoarseSmootherShift, mrhsLinOpCoarse);
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
CoarseSmootherGCR(0.01,1,ShiftedMrhsCoarse,simpleC,CoarseSmootherNstep,CoarseSmootherNstep);
CoarseSmootherGCR.Level(2);
CoarseSmootherGCR.Name("Csmoother");
CoarseSmootherGCR.SetZeroGuess(1); // caller zeroes vec2: skip r0 apply every L2 iteration
// L2->L3 V-cycle preconditioner (operates on 6D coarse field)
MrhsCoarseThreeLevelPrec<CoarseVector,CoarseCoarseVector>
L2to3Precon(mrhsLinOpCoarse, CoarseSmootherGCR, MrhsProjectorL2, *ccSolve,
Coarse5d, CoarseCoarse5d, CoarseCoarseMrhs, nrhs);
// L2 coarse solve: PGCR on 6D coarse op, preconditioned by the L2->L3 V-cycle
PrecGeneralisedConjugateResidualNonHermitian<CoarseVector>
L2PGCR(CoarseSolverTol, CoarseSolverOrder/16, mrhsLinOpCoarse, L2to3Precon, 16, 16);
L2PGCR.Level(2);
L2PGCR.Name("Couter");
L2PGCR.SetZeroGuess(1); // caller zeroes CsolMrhs; restarts still recompute r
// Fine smoother (per-rhs, looped in the L1->L2 V-cycle)
PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD>
SmootherGCR(0.0,1,ShiftedPVdagM,simple_fine,FineSmootherOrder,FineSmootherOrder);
SmootherGCR.Level(1);
SmootherGCR.Name("Fsmoother");
SmootherGCR.SetZeroGuess(1); // caller zeroes vec2[r]: saves 12 fine mults/outer
// L1->L2 V-cycle (fine); its coarse solve is the three-level L2PGCR
typedef PrecGeneralisedConjugateResidualNonHermitian<LatticeFermionD> FineSmoother_t;
MrhsTwoLevelMG<LatticeFermionD,CoarseVector,FineSmoother_t>
ThreeLevelPrecon(PVdagM, SmootherGCR, MrhsProjector, L2PGCR, Coarse5d, CoarseMrhs);
// Outer mrhs solve
MrhsPGCRNonHermitian<LatticeFermionD>
L1PGCR(OuterTol,1000,PVdagM,ThreeLevelPrecon,OuterMmax,OuterNstep);
L1PGCR.Level(1);
L1PGCR.Name("Fouter");
L1PGCR.SetZeroGuess(1); // sol[r]=Zero() below; restarts recompute r as always
//////////////////////////////////////////////////////////////////////
// Sources and solve
//////////////////////////////////////////////////////////////////////
std::vector<LatticeFermionD> src(nrhs,FGrid), sol(nrhs,FGrid);
for(int r=0;r<nrhs;r++){ gaussian(RNG5,src[r]); sol[r]=Zero(); }
std::cout << GridLogMessage << "**********************************************" << std::endl;
std::cout << GridLogMessage << " MultiRHS THREE-level solve (DenseCoarseMatrix bottom): " << nrhs << " RHS " << std::endl;
std::cout << GridLogMessage << "**********************************************" << std::endl;
GridStopWatch w; w.Start();
L1PGCR(src,sol);
w.Stop();
std::cout << GridLogMessage << "MultiRHS 3-level dense solve total " << w.Elapsed()
<< " (per RHS: " << w.useconds()/1.0e6/nrhs << " s)" << std::endl;
{ LatticeFermionD Ax(FGrid); RealD worst=0.0;
for(int r=0;r<nrhs;r++){ PVdagM.Op(sol[r],Ax); Ax=Ax-src[r];
RealD rn=std::sqrt(norm2(Ax)/norm2(src[r]));
std::cout << GridLogMessage << "FINAL: rhs["<<r<<"] true residual = " << rn << std::endl;
worst=std::max(worst,rn); }
std::cout << GridLogMessage << "FINAL: worst-case residual = " << worst << std::endl;
}
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
return 0;
}
File diff suppressed because it is too large. Load diff
-1
View File
@@ -8,7 +8,6 @@ LIME=/p/home/jusers/boyle2/juwels/gm2dwf/boyle/
--disable-gparity \
--disable-fermion-reps \
--with-lime=$LIME \
--enable-accelerator-cshift \
--disable-unified \
CXX=nvcc \
LDFLAGS="-cudart shared " \
+104
View File
@@ -0,0 +1,104 @@
#!/bin/bash -l
# Node count scan. Everything that could confound the comparison is held
# fixed and only the number of Lustre clients changes:
#
# local volume 8.8.32.128 = 262144 sites x 576 B = 151 MB / rank
# aggregation k=2, row of 16, 8 extents of 18 MB (identical at
# every node count)
# old path contiguous run = lLattice[0]*576 = 4.6 KB (identical too)
#
# So the ratio of contiguous extent between the two layout preserving paths is
# a constant 4000x across the whole scan, and any change in their relative
# bandwidth is a property of the client count alone. That is the variable the
# 4 node runs could not move.
#
# Trim the tail of the run list if you want a smaller allocation; the
# geometries are independent.
#SBATCH --job-name=ioScale
#SBATCH --nodes=128
#SBATCH --ntasks-per-node=8
#SBATCH --cpus-per-task=7
#SBATCH --gpus-per-node=8
#SBATCH --time=02:00:00
#SBATCH --account=phy157_dwf
#SBATCH --gpu-bind=none
#SBATCH --exclusive
#SBATCH --mem=0
cat << EOF > select_gpu
#!/bin/bash
export GPU_MAP=(0 1 2 3 7 6 5 4)
export NUMA_MAP=(3 3 1 1 2 2 0 0)
export GPU=\${GPU_MAP[\$SLURM_LOCALID]}
export NUMA=\${NUMA_MAP[\$SLURM_LOCALID]}
unset ROCR_VISIBLE_DEVICES
export HIP_VISIBLE_DEVICES=\$GPU
rank=\$SLURM_PROCID
CMD="numactl -m \$NUMA -N \$NUMA \$*"
exec \$CMD
EOF
chmod +x ./select_gpu
SELECT=$SLURM_SUBMIT_DIR/select_gpu
root=$HOME/ParallelIO/systems/Frontier/
source ${root}/sourceme-rocm7.2.sh
export OMP_NUM_THREADS=7
export MPICH_GPU_SUPPORT_ENABLED=1
WORK=/lustre/orion/phy157/proj-shared/phy157_dwf/paboyle/aggscale.$SLURM_JOB_ID
mkdir -p $WORK
cd $WORK
# The largest rung writes three files of 154 GB, so budget ~700 GB for the
# whole scan and check the quota before submitting.
#
# Do NOT stripe by default. Measured on Frontier at 128 nodes / 1024 ranks,
# 154.6 GB record, best of 3 (MB/s):
#
# default layout lfs setstripe -c -1 -S 8M
# raw 97673 81728
# MPI-IO lexicographic 31675 77534
# aggregate 189535 86063
#
# The two layout preserving paths want opposite things. Wide striping is what
# rescues MPI-IO at scale, 32 -> 78 GB/s, which is presumably what careful
# striping has been buying in production. It costs the aggregate path a factor
# of 2.2, and costs raw as well. With the default layout MPI-IO plateaus at
# ~30 GB/s from 64 nodes upward -- the 20-40 GB/s seen in production -- while
# the aggregate path keeps scaling. Uncomment only to reproduce that.
#lfs setstripe -c -1 -S 8M $WORK
lfs getstripe -d $WORK # record the inherited layout; needed to read the numbers
BIN=$SLURM_SUBMIT_DIR/tests/IO/Test_aggregate_io
ARGS="--aggregate-target 4194304 --io-no-correctness --io-reps 3"
run () { # run <nodes> <grid> <mpi> <comment>
local nodes=$1 nranks=$(( $1 * 8 ))
echo
echo "==================================================================="
echo "=== SCAN nodes=$nodes ranks=$nranks grid=$2 mpi=$3 $4"
echo "==================================================================="
srun -N$nodes -n$nranks --ntasks-per-node=8 $SELECT $BIN --grid $2 --mpi $3 \
--accelerator-threads 8 --shm 2048 --device-mem 32000 $ARGS
echo "=== exit $?"
}
# nodes global lattice decomposition record
run 4 32.32.64.128 4.4.2.1 "4.8 GB"
run 8 32.32.64.256 4.4.2.2 "9.7 GB"
run 16 32.32.64.512 4.4.2.4 "19.3 GB"
run 32 32.32.128.512 4.4.4.4 "38.6 GB"
run 64 32.32.128.1024 4.4.4.8 "77.3 GB"
run 128 32.32.256.1024 4.4.8.8 "154.6 GB"
echo
echo "=== done. Files left in $WORK"
echo "=== For cold read numbers, submit a SECOND job on a fresh allocation"
echo "=== with WORK pointed at this directory and --io-read-only added to"
echo "=== ARGS. Reading back what this job wrote only measures page cache."
ls -l $WORK
+5 -3
View File
@@ -1,4 +1,5 @@
CLIME=`spack find --paths c-lime@2-3-9 | grep c-lime| cut -c 15-`
../../configure --enable-comms=mpi-auto \
--with-lime=$CLIME \
--enable-unified=no \
@@ -9,12 +10,13 @@ CLIME=`spack find --paths c-lime@2-3-9 | grep c-lime| cut -c 15-`
--disable-gparity \
--disable-fermion-reps \
--enable-simd=GPU \
--with-gmp=$OLCF_GMP_ROOT \
--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
--with-openssl=$OPENSSL \
--with-gmp=$GMP \
--with-mpfr=$MPFR \
--disable-fermion-reps \
CXX=hipcc MPICXX=mpicxx \
CXXFLAGS="-fPIC -I${ROCM_PATH}/include/ -I${MPICH_DIR}/include " \
LDFLAGS="-L${ROCM_PATH}/lib -L${MPICH_DIR}/lib -lmpi -lmpi_gtl_hsa -lhipblas -lrocblas -lhipfft -lamdhip64"
LDFLAGS="-L${ROCM_PATH}/lib -L${MPICH_DIR}/lib -lmpi -lmpi_gtl_hsa -lhipblas -lrocsolver -lrocblas -lhipfft -lamdhip64"
+15
View File
@@ -0,0 +1,15 @@
echo spack
. /autofs/nccs-svm1_home1/paboyle/spack/share/spack/setup-env.sh
export CLIME=`spack find --paths c-lime | grep ^c-lime | awk '{print $2}' `
export MPFR=`spack find --paths mpfr | grep ^mpfr | awk '{print $2}' `
export OPENSSL=`spack find --paths openssl | grep openssl | awk '{print $2}' `
export GMP=`spack find --paths gmp | grep ^gmp | awk '{print $2}' `
module load cce/20.0.0
module load cpe/25.09
module load rocm/6.4.0
export LD_LIBRARY_PATH=$CRAY_LD_LIBRARY_PATH:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/rocm-6.4.0/lib/llvm/lib/:$LD_LIBRARY_PATH
module load emacs
@@ -6,5 +6,8 @@ echo spack
module load cce/21.0.0
module load cpe/26.03
module load rocm/7.0.2
export LD_LIBRARY_PATH=$CRAY_LD_LIBRARY_PATH:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/opt/rocm-7.0.2/lib/llvm/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CRAY_LD_LIBRARY_PATH
module load emacs
+15
View File
@@ -0,0 +1,15 @@
echo spack
. /autofs/nccs-svm1_home1/paboyle/spack/share/spack/setup-env.sh
export CLIME=`spack find --paths c-lime | grep ^c-lime | awk '{print $2}' `
export MPFR=`spack find --paths mpfr | grep ^mpfr | awk '{print $2}' `
export OPENSSL=`spack find --paths openssl | grep openssl | awk '{print $2}' `
export GMP=`spack find --paths gmp | grep ^gmp | awk '{print $2}' `
module load cce/21.0.0
module load cpe/26.03
module load rocm/7.2.0
export LD_LIBRARY_PATH=/opt/rocm-7.2.0/lib/llvm/lib/:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CRAY_LD_LIBRARY_PATH
module load emacs
+458
View File
@@ -0,0 +1,458 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/IO/Test_aggregate_io.cc
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
// Correctness and performance test for BINARYIO_AGGREGATE.
//
// Correctness, per aggregateTargetBytes:
// 1. write via the MPI-IO lexicographic path -> ref.bin
// 2. write via the aggregate path -> agg.bin
// 3. the two files must be byte identical <- proves the layout matches
// 4. read agg.bin back through the aggregate path <- proves the mirror inverts
// 5. write and read the non-lexicographic path -> raw.bin. Its layout is
// different by construction (each rank owns one contiguous segment in
// rank order) so it cannot be compared byte for byte, but the NERSC and
// SciDAC checksums are computed from the global site index and are
// therefore layout independent: they must match the other two paths.
// 6. a record written over a longer pre-existing file must leave the file at
// exactly offset+payload, with no trailing fragment of the old contents
//
// Performance: three paths, both directions, timed with the client page cache
// dropped before every read so that a read back reports filesystem bandwidth
// rather than memory bandwidth. The non-lexicographic path is the zero
// overhead reference: no transposition, no layout independence, one disjoint
// contiguous segment per rank, which is the arrangement that reaches full
// filesystem bandwidth on a leadership machine. It is the upper bound the
// other two are trying to approach.
//
// Options:
// --aggregate-target <bytes> sweep this one target only (default: sweep
// 1, 1024, 64K, 4M)
// --io-reps <n> repetitions in the performance section
// (default 3; 0 disables it)
// --io-no-correctness skip the correctness section, which reads the
// whole file on one rank and is not affordable
// at very large volume
// --io-read-only time reads only, of files left in place by an
// earlier job. Reading back what this job just
// wrote measures the client page cache; a fresh
// allocation pointed at the same directory is
// the only way to get a cold read without root.
//
// The exchange is only meaningfully exercised when the fast dimensions are
// split across ranks; --mpi 1.1.X.Y leaves the rows of size one and the test
// then passes vacuously. Non-uniform AllToAllV counts additionally need an
// odd process factor in a fast dimension and a small local volume.
#include <Grid/Grid.h>
#include <fcntl.h>
using namespace Grid;
/////////////////////////////////////////////////////////////////////////////
// Compare in chunks. Slurping both files into memory is fine for a few MB
// and fatal for the multi-GB records this test is meant to reach.
/////////////////////////////////////////////////////////////////////////////
static bool FilesIdentical(std::string a,std::string b)
{
std::ifstream fa(a,std::ios::binary), fb(b,std::ios::binary);
if ( !fa.good() || !fb.good() ) {
std::cout<<GridLogMessage<<" could not open "<<a<<" and/or "<<b<<std::endl;
return false;
}
fa.seekg(0,std::ios::end); fb.seekg(0,std::ios::end);
uint64_t sa = (uint64_t)fa.tellg(), sb = (uint64_t)fb.tellg();
if ( sa != sb ) {
std::cout<<GridLogMessage<<" size mismatch "<<sa<<" vs "<<sb<<std::endl;
return false;
}
fa.seekg(0,std::ios::beg); fb.seekg(0,std::ios::beg);
const uint64_t chunk = 8*1024*1024;
std::vector<char> va(chunk), vb(chunk);
uint64_t done=0;
while ( done < sa ) {
uint64_t n = std::min(chunk,sa-done);
fa.read(&va[0],n);
fb.read(&vb[0],n);
for(uint64_t i=0;i<n;i++){
if ( va[i]!=vb[i] ) {
std::cout<<GridLogMessage<<" first differing byte at "<<done+i<<" of "<<sa<<std::endl;
return false;
}
}
done += n;
}
return true;
}
/////////////////////////////////////////////////////////////////////////////
// Reading back a file we have just written measures the client page cache,
// not the filesystem: the earlier runs of this test reported 8 GB/s on reads
// and ~1 GB/s on writes for the same data. POSIX_FADV_DONTNEED asks the
// kernel to drop the cached pages for the file. It is advisory and every
// rank must do it, since each client caches independently, so treat this as
// best effort rather than a guarantee of a cold read.
/////////////////////////////////////////////////////////////////////////////
static void DropCache(GridBase *grid,std::string file)
{
grid->Barrier();
int fd = ::open(file.c_str(),O_RDONLY);
if ( fd >= 0 ) {
#ifdef POSIX_FADV_DONTNEED
::posix_fadvise(fd,0,0,POSIX_FADV_DONTNEED);
#endif
::close(fd);
}
grid->Barrier();
}
static uint64_t OptionU64(int argc,char **argv,const char *opt,uint64_t def)
{
if ( GridCmdOptionExists(argv,argv+argc,opt) ) {
std::string arg = GridCmdOptionPayload(argv,argv+argc,opt);
return (uint64_t)std::stoull(arg);
}
return def;
}
int main(int argc,char **argv)
{
Grid_init(&argc,&argv);
Coordinate latt = GridDefaultLatt();
Coordinate simd = GridDefaultSimd(Nd,vComplexD::Nsimd());
Coordinate mpi = GridDefaultMpi();
GridCartesian grid(latt,simd,mpi);
typedef vLorentzColourMatrixD vobj;
typedef LorentzColourMatrixD sobj;
GridParallelRNG pRNG(&grid);
pRNG.SeedFixedIntegers(std::vector<int>({1,2,3,4}));
LatticeGaugeFieldD Umu(&grid);
random(pRNG,Umu);
BinarySimpleMunger<sobj,sobj> munge;
const std::string format("IEEE64BIG");
const int lex = BinaryIO::BINARYIO_LEXICOGRAPHIC;
const int agg = BinaryIO::BINARYIO_LEXICOGRAPHIC|BinaryIO::BINARYIO_AGGREGATE;
const int raw = 0; // no BINARYIO_LEXICOGRAPHIC: contiguous segment per rank
uint64_t payload = (uint64_t)grid._gsites*sizeof(sobj);
std::vector<uint64_t> targets = {1, 1024, 64*1024, 4*1024*1024};
if ( GridCmdOptionExists(argv,argv+argc,"--aggregate-target") ) {
targets.clear();
targets.push_back(OptionU64(argc,argv,"--aggregate-target",4*1024*1024));
}
uint64_t reps = OptionU64(argc,argv,"--io-reps",3);
bool correctness = !GridCmdOptionExists(argv,argv+argc,"--io-no-correctness");
// Read only: time reads of files left by an earlier job. The only way to
// get a cold client cache without root is to read on an allocation that did
// not write the data, so run one job to write and a second, pointed at the
// same directory, with this flag.
bool readonly = GridCmdOptionExists(argv,argv+argc,"--io-read-only");
if ( readonly ) correctness = false;
std::cout<<GridLogMessage<<"Record payload "<<payload<<" bytes = "
<<payload/1024./1024.<<" MB, "
<<payload/(RealD)grid.ProcessorCount()/1024./1024.<<" MB/rank"<<std::endl;
int failures=0;
//////////////////////////////////////////////////////////////////////////
// Correctness
//////////////////////////////////////////////////////////////////////////
if ( correctness ) for(auto target : targets){
std::cout<<GridLogMessage<<"=== correctness, aggregateTargetBytes = "<<target<<" ==="<<std::endl;
uint32_t n1,a1,b1, n2,a2,b2, n3,a3,b3;
uint64_t off;
// Start from a clean slate. The aggregate path sets the file length to
// exactly offset+payload; the MPI-IO path (MPI_MODE_CREATE) leaves any
// pre-existing tail in place. Comparing stale files would therefore
// report a size mismatch that says nothing about the payload.
if ( grid.IsBoss() ) { ::unlink("ref.bin"); ::unlink("agg.bin"); ::unlink("raw.bin"); }
grid.Barrier();
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"ref.bin",munge,off,format,n1,a1,b1,lex);
BinaryIO::aggregateTargetBytes = target;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"agg.bin",munge,off,format,n2,a2,b2,agg);
grid.Barrier();
if ( grid.IsBoss() ) {
if ( !FilesIdentical("ref.bin","agg.bin") ) {
std::cout<<GridLogError<<" FAIL: aggregate file differs from lexicographic file"<<std::endl;
failures++;
} else {
std::cout<<GridLogMessage<<" files byte identical"<<std::endl;
}
}
if ( (n1!=n2)||(a1!=a2)||(b1!=b2) ) {
std::cout<<GridLogError<<" FAIL: checksum mismatch between paths"<<std::endl;
failures++;
}
// writeLatticeObject takes offset by value, so the out-parameter that
// IOobject sets never reaches us here and cannot be checked directly.
// The observable equivalent is the file length: both paths must leave the
// record ending at exactly offset+payload.
if ( grid.IsBoss() ) {
for(auto f : {std::string("ref.bin"),std::string("agg.bin")}){
std::ifstream fs(f,std::ios::binary|std::ios::ate);
uint64_t sz = (uint64_t)fs.tellg();
if ( sz != payload ) {
std::cout<<GridLogError<<" FAIL: "<<f<<" is "<<sz<<" bytes, expected "<<payload<<std::endl;
failures++;
}
}
}
LatticeGaugeFieldD Uchk(&grid);
DropCache(&grid,"agg.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uchk,"agg.bin",munge,off,format,n3,a3,b3,agg);
if ( (n3!=n1)||(a3!=a1)||(b3!=b1) ) {
std::cout<<GridLogError<<" FAIL: read back checksum mismatch"<<std::endl;
failures++;
}
Uchk = Uchk - Umu;
RealD residual = norm2(Uchk);
std::cout<<GridLogMessage<<" read back residual "<<residual<<std::endl;
if ( residual != 0.0 ) {
std::cout<<GridLogError<<" FAIL: read back does not reproduce the field"<<std::endl;
failures++;
}
////////////////////////////////////////////////////////////////////////
// Non-lexicographic. Different file layout by construction, so compare
// by checksum and by round trip rather than by bytes.
////////////////////////////////////////////////////////////////////////
uint32_t n4,a4,b4, n5,a5,b5;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"raw.bin",munge,off,format,n4,a4,b4,raw);
grid.Barrier();
if ( (n4!=n1)||(a4!=a1)||(b4!=b1) ) {
std::cout<<GridLogError<<" FAIL: raw path checksum differs; the NERSC and"
<<" SciDAC checksums are layout independent and must agree"<<std::endl;
failures++;
}
DropCache(&grid,"raw.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uchk,"raw.bin",munge,off,format,n5,a5,b5,raw);
if ( (n5!=n1)||(a5!=a1)||(b5!=b1) ) {
std::cout<<GridLogError<<" FAIL: raw read back checksum mismatch"<<std::endl;
failures++;
}
Uchk = Uchk - Umu;
RealD rawresidual = norm2(Uchk);
std::cout<<GridLogMessage<<" raw read back residual "<<rawresidual<<std::endl;
if ( rawresidual != 0.0 ) {
std::cout<<GridLogError<<" FAIL: raw read back does not reproduce the field"<<std::endl;
failures++;
}
}
//////////////////////////////////////////////////////////////////////////
// Truncation. offset!=0 is the case that matters: it is what ILDG and
// NERSC use, and it is the branch that used to only ever grow the file.
// The oversized starting file is made by extending a sparse one rather
// than writing padding from a single rank, which does not scale.
//////////////////////////////////////////////////////////////////////////
if ( correctness ) {
BinaryIO::aggregateTargetBytes = 4*1024*1024;
for(uint64_t testOffset : {(uint64_t)0, (uint64_t)1024}){
uint64_t expect = testOffset + payload;
if ( grid.IsBoss() ) {
{ std::ofstream create("trunc.bin",std::ios::binary|std::ios::out); create.close(); }
int ierr = ::truncate("trunc.bin",(off_t)(expect+65536));
GRID_ASSERT(ierr==0);
}
grid.Barrier();
uint32_t n,a,b;
uint64_t off = testOffset;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"trunc.bin",munge,off,format,n,a,b,agg);
grid.Barrier();
if ( grid.IsBoss() ) {
std::ifstream f("trunc.bin",std::ios::binary|std::ios::ate);
uint64_t sz = (uint64_t)f.tellg();
f.close();
if ( sz != expect ) {
std::cout<<GridLogError<<" FAIL: offset "<<testOffset<<" left file "<<sz
<<" bytes, expected "<<expect<<std::endl;
failures++;
} else {
std::cout<<GridLogMessage<<" truncation ok at offset "<<testOffset
<<": file is exactly "<<sz<<" bytes"<<std::endl;
}
}
}
}
//////////////////////////////////////////////////////////////////////////
// Performance. Four numbers per repetition: write and read, old path and
// new. Reads are preceded by a cache drop; writes are not, so a write
// number is "time to hand the data to the client cache and close", the
// same convention for both paths.
//////////////////////////////////////////////////////////////////////////
if ( reps ) {
LatticeGaugeFieldD Uio(&grid);
uint32_t n,a,b;
// The NERSC and SciDAC checksums are computed from the global site index,
// so all three layouts must produce the same values. This costs nothing
// and is the only correctness check available at a volume where the byte
// for byte comparison (single rank, whole file) is unaffordable.
uint32_t cn[6],ca[6],cb[6];
auto agreeing = [&](const char *what,int lo,int hi){
for(int i=lo+1;i<=hi;i++){
if ( (cn[i]!=cn[lo])||(ca[i]!=ca[lo])||(cb[i]!=cb[lo]) ) {
std::cout<<GridLogError<<" FAIL: "<<what<<" checksums disagree between paths"<<std::endl;
return false;
}
}
return true;
};
for(auto target : targets){
BinaryIO::aggregateTargetBytes = target;
std::cout<<GridLogMessage<<"=== performance, aggregateTargetBytes = "<<target<<" ==="<<std::endl;
std::vector<RealD> wref,wagg,wraw,rref,ragg,rraw;
for(uint64_t rep=0;rep<reps;rep++){
uint64_t off;
// Unlink only before the first repetition. Lustre metadata cost is
// per file, not per byte, so rep 0 reports "create the file and write
// it" and the later reps report the steady state of overwriting an
// existing file -- which is what a multi record file does for every
// record after the first, and what production actually looks like.
if ( (rep==0) && !readonly && grid.IsBoss() ) {
::unlink("ref.bin"); ::unlink("agg.bin"); ::unlink("raw.bin");
}
grid.Barrier();
if ( !readonly ) {
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"ref.bin",munge,off,format,n,a,b,lex);
wref.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[0]=n; ca[0]=a; cb[0]=b;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"agg.bin",munge,off,format,n,a,b,agg);
wagg.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[1]=n; ca[1]=a; cb[1]=b;
off=0;
BinaryIO::writeLatticeObject<vobj,sobj>(Umu,"raw.bin",munge,off,format,n,a,b,raw);
wraw.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[2]=n; ca[2]=a; cb[2]=b;
if ( !agreeing("write",0,2) ) failures++;
} // !readonly
DropCache(&grid,"ref.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"ref.bin",munge,off,format,n,a,b,lex);
rref.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[3]=n; ca[3]=a; cb[3]=b;
DropCache(&grid,"agg.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"agg.bin",munge,off,format,n,a,b,agg);
ragg.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[4]=n; ca[4]=a; cb[4]=b;
DropCache(&grid,"raw.bin");
off=0;
BinaryIO::readLatticeObject<vobj,sobj>(Uio,"raw.bin",munge,off,format,n,a,b,raw);
rraw.push_back(BinaryIO::lastPerf.mbytesPerSecond);
cn[5]=n; ca[5]=a; cb[5]=b;
if ( !agreeing("read back",readonly?3:0,5) ) failures++;
}
if ( grid.IsBoss() ) {
auto report = [&](const char *name,std::vector<RealD> &v){
if ( v.empty() ) return;
RealD best=0, sum=0;
for(auto x : v){ if(x>best) best=x; sum+=x; }
// First sample includes file creation, later ones do not; quote both
// rather than a mean that mixes the two.
std::cout<<GridLogMessage<<" PERF target="<<target<<" "<<name
<<" best "<<best<<" MB/s, mean "<<sum/v.size()
<<" MB/s, first(cold create) "<<v[0]<<" MB/s, samples";
for(auto x : v) std::cout<<" "<<x;
std::cout<<std::endl;
};
report("write raw ",wraw); // zero overhead reference
report("write MPI-IO ",wref);
report("write aggregate ",wagg);
report("read raw ",rraw);
report("read MPI-IO ",rref);
report("read aggregate ",ragg);
// Fraction of the zero overhead reference that each layout preserving
// path achieves. This is the number the whole exercise is about.
auto best = [](std::vector<RealD> &v){ RealD m=0; for(auto x:v) if(x>m) m=x; return m; };
if ( !wraw.empty() && best(wraw) > 0 ) {
std::cout<<GridLogMessage<<" PERF target="<<target
<<" write fraction of raw: MPI-IO "<<best(wref)/best(wraw)
<<" aggregate "<<best(wagg)/best(wraw)<<std::endl;
}
if ( !rraw.empty() && best(rraw) > 0 ) {
std::cout<<GridLogMessage<<" PERF target="<<target
<<" read fraction of raw: MPI-IO "<<best(rref)/best(rraw)
<<" aggregate "<<best(ragg)/best(rraw)<<std::endl;
}
}
}
}
if ( grid.IsBoss() ) {
if ( failures ) std::cout<<GridLogError <<failures<<" FAILURE(S)"<<std::endl;
else std::cout<<GridLogMessage<<"ALL AGGREGATE IO TESTS PASSED"<<std::endl;
}
Grid_finalize();
return failures!=0;
}
+261
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/*************************************************************************************
Test_fft_memory.cc
Memory growth test for PlannedFFT on a spin-colour matrix (propagator) field.
The test creates a single PlannedFFT object (which allocates FFTW plans once),
then repeatedly applies FFT_all_dim to the same propagator 400 times.
If PlannedFFT is working correctly the RSS should remain flat after the first
iteration — no new plans, no new deviceVector allocations beyond the per-call
pencil buffer which is freed at the end of each FFT_dim_execute call.
Build exactly like any other Grid test, e.g.:
make Test_fft_memory
or compile manually:
$(CXX) $(CXXFLAGS) Test_fft_memory.cc -o Test_fft_memory $(LDFLAGS)
*************************************************************************************/
#include <Grid/Grid.h>
using namespace Grid;
// --------------------------------------------------------------------------
// Helper: read RSS (resident set size) in kB from /proc/self/status.
// Returns 0 on platforms where /proc is unavailable.
// --------------------------------------------------------------------------
static long getCPURSSKb()
{
long rss = 0;
FILE *fp = fopen("/proc/self/status", "r");
if (!fp) return -1;
char line[256];
while (fgets(line, sizeof(line), fp)) {
if (strncmp(line, "VmRSS:", 6) == 0) {
sscanf(line + 6, "%ld", &rss);
break;
}
}
fclose(fp);
return rss;
}
static long getGPUUsedMb()
{
#if defined(GRID_CUDA)
size_t free_bytes = 0;
size_t total_bytes = 0;
cudaError_t err = cudaMemGetInfo(&free_bytes, &total_bytes);
if (err != cudaSuccess) return -1;
return (long)((total_bytes - free_bytes) / (1024 * 1024));
#elif defined(GRID_HIP)
size_t free_bytes = 0;
size_t total_bytes = 0;
hipError_t err = hipMemGetInfo(&free_bytes, &total_bytes);
if (err != hipSuccess) return -1;
return (long)((total_bytes - free_bytes) / (1024 * 1024));
#else
return -1; // CPU-only build: no GPU to query
#endif
}
// ============================================================
// Convenience struct — one snapshot of both sides
// ============================================================
struct MemSnapshot {
long cpu_rss_kb; // host RSS in kB (-1 if unavailable)
long gpu_used_mb; // device used in MB (-1 if no GPU)
};
static MemSnapshot takeSnapshot()
{
MemSnapshot s;
s.cpu_rss_kb = getCPURSSKb();
s.gpu_used_mb = getGPUUsedMb();
return s;
}
// ============================================================
// Pretty-print one row of the monitoring table
// ============================================================
static void printRow(int iter,
const MemSnapshot &now,
const MemSnapshot &prev)
{
long cpu_delta = (now.cpu_rss_kb >= 0 && prev.cpu_rss_kb >= 0)
? now.cpu_rss_kb - prev.cpu_rss_kb : 0;
long gpu_delta = (now.gpu_used_mb >= 0 && prev.gpu_used_mb >= 0)
? now.gpu_used_mb - prev.gpu_used_mb : 0;
// Sign prefix so deltas are unambiguous
auto sign = [](long v) -> const char* { return v >= 0 ? "+" : ""; };
std::cout << GridLogMessage
<< std::setw(6) << iter
<< " CPU: " << std::setw(10) << now.cpu_rss_kb << " kB"
<< " (" << sign(cpu_delta) << std::setw(7) << cpu_delta << " kB)"
<< " GPU: " << std::setw(7) << now.gpu_used_mb << " MB"
<< " (" << sign(gpu_delta) << std::setw(5) << gpu_delta << " MB)"
<< "\n";
}
// ============================================================
int main(int argc, char **argv)
{
Grid_init(&argc, &argv);
int threads = GridThread::GetThreads();
std::cout << GridLogMessage
<< "Grid is setup to use " << threads << " threads" << std::endl;
// ------------------------------------------------------------------
// Grid setup — use whatever lattice/mpi/simd was passed on the CLI,
// e.g. --grid 8.8.8.8 --mpi 1.1.1.1
// ------------------------------------------------------------------
Coordinate latt_size = GridDefaultLatt();
Coordinate simd_layout = GridDefaultSimd(Nd, vComplexD::Nsimd());
Coordinate mpi_layout = GridDefaultMpi();
GridCartesian GRID(latt_size, simd_layout, mpi_layout);
int vol = 1;
for (int d = 0; d < (int)latt_size.size(); d++) vol *= latt_size[d];
std::cout << GridLogMessage << "Lattice : ";
for (int d = 0; d < Nd; d++) std::cout << latt_size[d] << " ";
std::cout << std::endl;
// ------------------------------------------------------------------
// Propagator field: SpinColourMatrix = 12x12 complex, i.e.
// LatticePropagatorD (= Lattice<iSpinColourMatrix<vComplexD>>).
// This is the standard QCD quark propagator type.
// ------------------------------------------------------------------
LatticePropagatorD prop(&GRID);
// ------------------------------------------------------------------
// Fill the propagator with a momentum-space plane wave,
// following the pattern from Test_fft.cc.
// We set each spin-colour component (a,b) to exp(i * sum_mu p_mu x_mu)
// with a fixed momentum p = (1,2,1,2).
// ------------------------------------------------------------------
Coordinate pvec({1, 2, 1, 2});
LatticeComplexD phase(&GRID);
LatticeComplexD coor(&GRID);
ComplexD ci(0.0, 1.0);
phase = Zero();
for (int mu = 0; mu < Nd; mu++) {
RealD TwoPiL = M_PI * 2.0 / latt_size[mu];
LatticeCoordinate(coor, mu);
phase = phase + (TwoPiL * pvec[mu]) * coor;
}
phase = exp(phase * ci); // e^{i p.x}
// Broadcast the phase into every spin-colour matrix entry
prop = Zero();
prop = prop + phase;
std::cout << GridLogMessage
<< "Propagator norm2 = " << norm2(prop) << std::endl;
// ------------------------------------------------------------------
// Baseline snapshot BEFORE PlannedFFT construction
// ------------------------------------------------------------------
MemSnapshot snap_before_plan = takeSnapshot();
std::cout << GridLogMessage
<< "[mem] Before PlannedFFT construction"
<< " CPU: " << snap_before_plan.cpu_rss_kb << " kB"
<< " GPU: " << snap_before_plan.gpu_used_mb << " MB"
<< std::endl;
// ------------------------------------------------------------------
// Create the PlannedFFT — plans are allocated here ONCE for all
// dimensions and stored inside the object.
// ------------------------------------------------------------------
PlannedFFT<iSpinColourMatrix<vComplexD>> plannedFFT(&GRID);
// ------------------------------------------------------------------
// Snapshot AFTER plan construction — this is the true baseline
// for the loop, because cufftPlanMany itself grabs device memory.
// ------------------------------------------------------------------
MemSnapshot snap_after_plan = takeSnapshot();
std::cout << GridLogMessage
<< "[mem] After PlannedFFT construction"
<< " CPU: " << snap_after_plan.cpu_rss_kb << " kB"
<< " GPU: " << snap_after_plan.gpu_used_mb << " MB"
<< " (plan overhead:"
<< " CPU +" << snap_after_plan.cpu_rss_kb - snap_before_plan.cpu_rss_kb << " kB"
<< " GPU +" << snap_after_plan.gpu_used_mb - snap_before_plan.gpu_used_mb << " MB)"
<< std::endl;
MemoryManager::Print();
// ------------------------------------------------------------------
// 400-iteration loop.
// Each iteration computes the full 4d forward FFT of `prop`.
// We deliberately do NOT cache the result — we always start from
// the same `prop` so the FFT is recomputed identically each time.
// The point is to watch memory, not correctness.
// ------------------------------------------------------------------
const int Niter = 40;
const int Niter2 = 32;
// Print header for the memory table
std::cout << GridLogMessage
<< "\n"
<< std::setw(6) << "iter"
<< " CPU: " << std::setw(10) << "RSS[kB]"
<< " ( delta )"
<< " GPU: " << std::setw(7) << "used[MB]"
<< " (delta)"
<< "\n";
MemSnapshot snap_prev = snap_after_plan;
for (int i = 0; i < Niter; i++) {
std::vector<LatticePropagatorD> G;
for (int j = 0; j < Niter2; j++) {
LatticePropagatorD prop_fft(&GRID);
// Full 4d forward FFT using the pre-built plans
plannedFFT.FFT_all_dim(prop_fft, prop, FFT::forward);
G.push_back(prop_fft);
}
// cudaMemGetInfo reflects the state *after* any pooled frees have
// been committed, so this is accurate without an explicit sync —
// FFT_dim_execute already calls accelerator_barrier() internally.
MemSnapshot snap_now = takeSnapshot();
printRow(i, snap_now, snap_prev);
MemoryManager::Print();
snap_prev = snap_now;
}
// ------------------------------------------------------------------
// Summary
// ------------------------------------------------------------------
MemSnapshot snap_final = takeSnapshot();
long cpu_growth = snap_final.cpu_rss_kb - snap_after_plan.cpu_rss_kb;
long gpu_growth = snap_final.gpu_used_mb - snap_after_plan.gpu_used_mb;
std::cout << GridLogMessage
<< "\n==== Memory summary (baseline = after plan construction) ====\n"
<< " CPU RSS growth over " << Niter << " FFTs : "
<< cpu_growth << " kB"
<< (cpu_growth == 0 ? " OK" : " *** GROWING ***") << "\n"
<< " GPU used growth over " << Niter << " FFTs : "
<< gpu_growth << " MB"
<< (gpu_growth == 0 ? " OK" : " *** GROWING ***") << "\n"
<< " Note: first-call watermark from pool fill is expected and benign.\n"
<< " A leak shows as continuous growth beyond iter ~2-3.\n";
Grid_finalize();
return 0;
}
+256
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@@ -0,0 +1,256 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/debug/Test_batched_blas.cc
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
//
// Unit tests for the blas-layer dense primitives:
//
// T1 : GridBLASInverse::inverseBatched (ComplexF and ComplexD) --
// || A A^{-1} - I ||_max over a random well-conditioned batch.
// On a CPU build this exercises the Eigen reference (the semantic
// oracle); the SAME binary exercises rocSOLVER/cuBLAS/oneMKL on a
// device build.
// T2 : explicit-leading-dimension gemmBatched == SOFTWARE SPLIT-K in
// miniature. Y = op(A,T).X computed (a) in one compact batch=1 call
// and (b) as NK K-chunks by POINTER OFFSET with lda = full K, partials
// reduced on the host. (a)==(b) validates the strided overload AND
// the production dense-slab apply pattern (arXiv:2409.03904 fig 11).
//
// Hard asserts throughout: regression gate for Grid/algorithms/blas.
//
#include <Grid/Grid.h>
#include <Grid/algorithms/blas/BatchedInverse.h>
#include <random>
using namespace std;
using namespace Grid;
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
GridBLAS blas;
GridBLASInverse inverse;
std::mt19937 rng(12345);
std::uniform_real_distribution<double> dist(-1.0,1.0);
////////////////////////////////////////////////////////////////
// T1a : batched inversion, ComplexF
////////////////////////////////////////////////////////////////
{
const int64_t N = 64;
const int batch = 4;
const uint64_t elems = (uint64_t)batch*N*N;
// Random diagonally-dominant batch: A = N*I + R, |R_ij| <= 1
std::vector<ComplexF> Ahost(elems);
for(uint64_t i=0;i<elems;i++) Ahost[i] = ComplexF(dist(rng),dist(rng));
for(int b=0;b<batch;b++)
for(int64_t d=0;d<N;d++)
Ahost[(uint64_t)b*N*N + d*N + d] += ComplexF((RealF)N,0.0);
deviceVector<ComplexF> Adev(elems); // gets inverted in place
deviceVector<ComplexF> Aorig(elems); // untouched copy for the residual
deviceVector<ComplexF> Cdev(elems);
acceleratorCopyToDevice(&Ahost[0],&Adev[0], elems*sizeof(ComplexF));
acceleratorCopyToDevice(&Ahost[0],&Aorig[0],elems*sizeof(ComplexF));
deviceVector<ComplexF*> Ap(batch);
deviceVector<ComplexF*> Op(batch);
deviceVector<ComplexF*> Cp(batch);
std::vector<ComplexF*> ptr_h(batch);
for(int b=0;b<batch;b++) ptr_h[b] = &Adev[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Ap[0],batch*sizeof(ComplexF*));
for(int b=0;b<batch;b++) ptr_h[b] = &Aorig[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Op[0],batch*sizeof(ComplexF*));
for(int b=0;b<batch;b++) ptr_h[b] = &Cdev[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Cp[0],batch*sizeof(ComplexF*));
inverse.inverseBatched(N,Ap); // A <- A^{-1}
ComplexF one (1.0,0.0);
ComplexF zero(0.0,0.0);
blas.gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
(int)N,(int)N,(int)N,
one, Op, Ap, zero, Cp); // C = A A^{-1}
blas.synchronise();
std::vector<ComplexF> Chost(elems);
acceleratorCopyFromDevice(&Cdev[0],&Chost[0],elems*sizeof(ComplexF));
double maxdev = 0.0;
for(int b=0;b<batch;b++)
for(int64_t j=0;j<N;j++)
for(int64_t i=0;i<N;i++){
ComplexF expect = (i==j) ? ComplexF(1.0,0.0) : ComplexF(0.0,0.0);
ComplexF got = Chost[(uint64_t)b*N*N + j*N + i];
maxdev = std::max(maxdev,(double)abs(got-expect));
}
std::cout << GridLogMessage << "T1a inverseBatched ComplexF ||A Ainv - I||_max = "
<< maxdev << ( maxdev < 1.0e-4 ? " PASS" : " FAIL" ) << std::endl;
GRID_ASSERT(maxdev < 1.0e-4);
}
////////////////////////////////////////////////////////////////
// T1b : batched inversion, ComplexD
////////////////////////////////////////////////////////////////
{
const int64_t N = 48;
const int batch = 3;
const uint64_t elems = (uint64_t)batch*N*N;
std::vector<ComplexD> Ahost(elems);
for(uint64_t i=0;i<elems;i++) Ahost[i] = ComplexD(dist(rng),dist(rng));
for(int b=0;b<batch;b++)
for(int64_t d=0;d<N;d++)
Ahost[(uint64_t)b*N*N + d*N + d] += ComplexD((RealD)N,0.0);
deviceVector<ComplexD> Adev(elems);
deviceVector<ComplexD> Aorig(elems);
deviceVector<ComplexD> Cdev(elems);
acceleratorCopyToDevice(&Ahost[0],&Adev[0], elems*sizeof(ComplexD));
acceleratorCopyToDevice(&Ahost[0],&Aorig[0],elems*sizeof(ComplexD));
deviceVector<ComplexD*> Ap(batch);
deviceVector<ComplexD*> Op(batch);
deviceVector<ComplexD*> Cp(batch);
std::vector<ComplexD*> ptr_h(batch);
for(int b=0;b<batch;b++) ptr_h[b] = &Adev[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Ap[0],batch*sizeof(ComplexD*));
for(int b=0;b<batch;b++) ptr_h[b] = &Aorig[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Op[0],batch*sizeof(ComplexD*));
for(int b=0;b<batch;b++) ptr_h[b] = &Cdev[(uint64_t)b*N*N];
acceleratorCopyToDevice(&ptr_h[0],&Cp[0],batch*sizeof(ComplexD*));
inverse.inverseBatched(N,Ap);
ComplexD one (1.0,0.0);
ComplexD zero(0.0,0.0);
blas.gemmBatched(GridBLAS_OP_N,GridBLAS_OP_N,
(int)N,(int)N,(int)N,
one, Op, Ap, zero, Cp);
blas.synchronise();
std::vector<ComplexD> Chost(elems);
acceleratorCopyFromDevice(&Cdev[0],&Chost[0],elems*sizeof(ComplexD));
double maxdev = 0.0;
for(int b=0;b<batch;b++)
for(int64_t j=0;j<N;j++)
for(int64_t i=0;i<N;i++){
ComplexD expect = (i==j) ? ComplexD(1.0,0.0) : ComplexD(0.0,0.0);
ComplexD got = Chost[(uint64_t)b*N*N + j*N + i];
maxdev = std::max(maxdev,(double)abs(got-expect));
}
std::cout << GridLogMessage << "T1b inverseBatched ComplexD ||A Ainv - I||_max = "
<< maxdev << ( maxdev < 1.0e-10 ? " PASS" : " FAIL" ) << std::endl;
GRID_ASSERT(maxdev < 1.0e-10);
}
////////////////////////////////////////////////////////////////
// T2 : explicit-ld gemmBatched == software split-K miniature.
// Slab layout as in the dense coarse-coarse apply: A is K x nrows
// column major (lda=K); Y = op(A,T).X with X K x nrhs (ldb=K).
////////////////////////////////////////////////////////////////
{
const int nrows = 8;
const int nrhs = 4;
const int K = 256;
const int NK = 8; // split-K chunks
const int Kc = K/NK;
std::vector<ComplexF> Ahost((uint64_t)K*nrows);
std::vector<ComplexF> Xhost((uint64_t)K*nrhs);
for(auto &z : Ahost) z = ComplexF(dist(rng),dist(rng));
for(auto &z : Xhost) z = ComplexF(dist(rng),dist(rng));
deviceVector<ComplexF> Adev(Ahost.size());
deviceVector<ComplexF> Xdev(Xhost.size());
deviceVector<ComplexF> Yref((uint64_t)nrows*nrhs);
deviceVector<ComplexF> Ypart((uint64_t)NK*nrows*nrhs);
acceleratorCopyToDevice(&Ahost[0],&Adev[0],Ahost.size()*sizeof(ComplexF));
acceleratorCopyToDevice(&Xhost[0],&Xdev[0],Xhost.size()*sizeof(ComplexF));
ComplexF one (1.0,0.0);
ComplexF zero(0.0,0.0);
// (a) reference: one compact batch=1 call (compact lda == K for OP_T)
{
deviceVector<ComplexF*> Ap(1), Xp(1), Yp(1);
std::vector<ComplexF*> h(1);
h[0]=&Adev[0]; acceleratorCopyToDevice(&h[0],&Ap[0],sizeof(ComplexF*));
h[0]=&Xdev[0]; acceleratorCopyToDevice(&h[0],&Xp[0],sizeof(ComplexF*));
h[0]=&Yref[0]; acceleratorCopyToDevice(&h[0],&Yp[0],sizeof(ComplexF*));
blas.gemmBatched(GridBLAS_OP_T,GridBLAS_OP_N,
nrows,nrhs,K,
one, Ap, Xp, zero, Yp);
blas.synchronise();
}
// (b) split-K: NK chunk-pointers into the SAME allocations, lda/ldb = K
{
deviceVector<ComplexF*> Ap(NK), Xp(NK), Yp(NK);
std::vector<ComplexF*> h(NK);
for(int j=0;j<NK;j++) h[j] = &Adev[(uint64_t)j*Kc]; // K-offset slice
acceleratorCopyToDevice(&h[0],&Ap[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &Xdev[(uint64_t)j*Kc];
acceleratorCopyToDevice(&h[0],&Xp[0],NK*sizeof(ComplexF*));
for(int j=0;j<NK;j++) h[j] = &Ypart[(uint64_t)j*nrows*nrhs];
acceleratorCopyToDevice(&h[0],&Yp[0],NK*sizeof(ComplexF*));
blas.gemmBatched(GridBLAS_OP_T,GridBLAS_OP_N,
nrows,nrhs,Kc,
one, Ap, /*lda*/ K,
Xp, /*ldb*/ K,
zero,Yp, /*ldc*/ nrows);
blas.synchronise();
}
std::vector<ComplexF> Yref_h((uint64_t)nrows*nrhs);
std::vector<ComplexF> Ypart_h((uint64_t)NK*nrows*nrhs);
acceleratorCopyFromDevice(&Yref[0], &Yref_h[0], Yref_h.size()*sizeof(ComplexF));
acceleratorCopyFromDevice(&Ypart[0],&Ypart_h[0],Ypart_h.size()*sizeof(ComplexF));
double maxdev = 0.0;
double maxval = 0.0;
for(int i=0;i<nrows*nrhs;i++){
ComplexF sum(0.0,0.0);
for(int j=0;j<NK;j++) sum = sum + Ypart_h[(uint64_t)j*nrows*nrhs + i];
maxdev = std::max(maxdev,(double)abs(sum-Yref_h[i]));
maxval = std::max(maxval,(double)abs(Yref_h[i]));
}
double rel = maxdev/maxval;
std::cout << GridLogMessage << "T2 split-K strided gemmBatched max rel dev vs compact = "
<< rel << ( rel < 1.0e-4 ? " PASS" : " FAIL" ) << std::endl;
GRID_ASSERT(rel < 1.0e-4);
}
std::cout << GridLogMessage << "All batched-blas tests PASSED" << std::endl;
Grid_finalize();
}
+279
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/forces/Test_dwf_ratio_4dpf_force.cc
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
//
// Validation of TwoFlavourRatio4DPseudoFermionAction (non-EO, LinearFunction
// solver slots). Three tests, run for BOTH wall conventions:
//
// T1 HeatbathIdentityTest : refresh then S; PASS iff S == 0.5*|eta4|^2 to
// solver tolerance. This adjudicates the 4D effective-operator
// composition identity [P M^-1 V Pdag][P V^-1 M Pdag] = 1 for the chosen
// (P,Pdag) wall pair. NO PREDICTION is made about which convention
// passes -- that is what the test decides.
// T2 ForceTest (idiom from Test_double_ratio.cc) : midpoint-derivative
// check of deriv against S. Should PASS for BOTH conventions (S and
// deriv use the same literal-adjoint pair by construction).
// T3 Trivial-ratio control (V == M) : T1 with NumOp = DenOp. The solve
// cancels against the multiply, so S = 0.5|eta4|^2 requires only
// P Pdag = 1_4d. Should PASS for BOTH conventions; isolates plumbing
// from the composition identity.
//
// Solvers here are plain CG on the normal equations (CGNR), tolerance 1e-12,
// so every defect above ~1e-10 is structural, not solver noise. Run small,
// e.g.: ./Test_dwf_ratio_4dpf_force --grid 8.8.8.8
//
#include <Grid/Grid.h>
#include <Grid/qcd/action/pseudofermion/TwoFlavourRatio4DPseudoFermion.h>
using namespace std;
using namespace Grid;
////////////////////////////////////////////////////////////////////
// LinearFunction wrappers: direct M^-1 and M^-dag via CG on the
// normal equations. These stand in for the MG-GCR stack in this
// test; the action class sees only LinearFunction.
////////////////////////////////////////////////////////////////////
template<class Matrix,class Field>
class CGNRLinearFunction : public LinearFunction<Field> { // out = M^-1 in
public:
using LinearFunction<Field>::operator();
Matrix &_Mat; RealD tol; Integer maxit;
CGNRLinearFunction(Matrix &Mat,RealD _tol,Integer _maxit) : _Mat(Mat), tol(_tol), maxit(_maxit) {};
void operator()(const Field &in, Field &out) {
MdagMLinearOperator<Matrix,Field> MdagM(_Mat);
Field src(in.Grid());
_Mat.Mdag(in,src); // src = Mdag in
ConjugateGradient<Field> CG(tol,maxit);
out = Zero();
CG(MdagM,src,out); // out = (MdagM)^-1 Mdag in = M^-1 in
}
};
template<class Matrix,class Field>
class CGNRDagLinearFunction : public LinearFunction<Field> { // out = M^-dag in
public:
using LinearFunction<Field>::operator();
Matrix &_Mat; RealD tol; Integer maxit;
CGNRDagLinearFunction(Matrix &Mat,RealD _tol,Integer _maxit) : _Mat(Mat), tol(_tol), maxit(_maxit) {};
void operator()(const Field &in, Field &out) {
MdagMLinearOperator<Matrix,Field> MdagM(_Mat);
Field tmp(in.Grid());
tmp = Zero();
ConjugateGradient<Field> CG(tol,maxit);
CG(MdagM,in,tmp); // tmp = (MdagM)^-1 in
_Mat.M(tmp,out); // out = M (MdagM)^-1 in = M^-dag in
}
};
////////////////////////////////////////////////////////////////////
// T1 / T3 : heatbath composition-identity test.
// Twin-seeded RNG reproduces the eta4 drawn inside refresh.
////////////////////////////////////////////////////////////////////
template<class Impl>
RealD HeatbathIdentityTest(TwoFlavourRatio4DPseudoFermionAction<Impl> &action,
LatticeGaugeField &U,
GridCartesian *UGrid,
const std::string &tag)
{
typedef typename Impl::FermionField FermionField;
std::vector<int> seeds({9,11,13,17});
GridSerialRNG sRNG; sRNG.SeedFixedIntegers(seeds);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds);
GridParallelRNG RNG4check(UGrid); RNG4check.SeedFixedIntegers(seeds);
FermionField eta4check(UGrid);
gaussian(RNG4check,eta4check); // identical to the draw inside refresh
action.refresh(U,sRNG,RNG4);
RealD S = action.S(U);
RealD Sexpect = 0.5*norm2(eta4check);
RealD defect = std::abs(S-Sexpect)/Sexpect;
std::cout << GridLogMessage << "=========================================================" << std::endl;
std::cout << GridLogMessage << " HeatbathIdentityTest ["<<tag<<"]" << std::endl;
std::cout << GridLogMessage << " S = " << S << std::endl;
std::cout << GridLogMessage << " 0.5|eta4|^2 = " << Sexpect << std::endl;
std::cout << GridLogMessage << " relative defect = " << defect
<< ( defect < 1.0e-8 ? " PASS" : " FAIL" ) << std::endl;
std::cout << GridLogMessage << "=========================================================" << std::endl;
return defect;
}
////////////////////////////////////////////////////////////////////
// T2 : ForceTest idiom from Test_double_ratio.cc (midpoint derivative)
////////////////////////////////////////////////////////////////////
template<class Gimpl>
void ForceTest(Action<LatticeGaugeField> &action,LatticeGaugeField & U,MomentumFilterBase<LatticeGaugeField> &Filter)
{
GridBase *UGrid = U.Grid();
std::vector<int> seeds({1,2,3,5});
GridSerialRNG sRNG; sRNG.SeedFixedIntegers(seeds);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds);
LatticeColourMatrix Pmu(UGrid);
LatticeGaugeField P(UGrid);
LatticeGaugeField UdSdU(UGrid);
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
std::cout << GridLogMessage << " Force test for "<<action.action_name()<<std::endl;
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
RealD eps=0.005;
Gimpl::generate_momenta(P,sRNG,RNG4);
Filter.applyFilter(P);
action.refresh(U,sRNG,RNG4);
RealD S1 = action.S(U);
Gimpl::update_field(P,U,eps);
action.deriv(U,UdSdU);
UdSdU = Ta(UdSdU);
Filter.applyFilter(UdSdU);
DumpSliceNorm("Force",UdSdU,Nd-1);
Gimpl::update_field(P,U,eps);
RealD S2 = action.S(U);
// Use the derivative
LatticeComplex dS(UGrid); dS = Zero();
for(int mu=0;mu<Nd;mu++){
auto UdSdUmu = PeekIndex<LorentzIndex>(UdSdU,mu);
Pmu= PeekIndex<LorentzIndex>(P,mu);
dS = dS - trace(Pmu*UdSdUmu)*eps*2.0*2.0;
}
ComplexD dSpred = sum(dS);
RealD diff = S2-S1-dSpred.real();
std::cout<< GridLogMessage << "+++++++++++++++++++++++++++++++++++++++++++++++++++++++++"<<std::endl;
std::cout<< GridLogMessage << "S1 : "<< S1 <<std::endl;
std::cout<< GridLogMessage << "S2 : "<< S2 <<std::endl;
std::cout<< GridLogMessage << "dS : "<< S2-S1 <<std::endl;
std::cout<< GridLogMessage << "dSpred : "<< dSpred.real() <<std::endl;
std::cout<< GridLogMessage << "diff : "<< diff<<std::endl;
std::cout<< GridLogMessage << "diff/dS : "<< diff/(S2-S1)<<std::endl;
std::cout<< GridLogMessage << "*********************************************************"<<std::endl;
// GRID_ASSERT(diff<1.0);
std::cout<< GridLogMessage << "Done" <<std::endl;
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
std::cout << std::setprecision(14);
const int Ls=8;
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
std::vector<int> seeds4({1,2,3,4});
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField U(UGrid);
SU<Nc>::HotConfiguration(RNG4,U);
////////////////////////////////////////////////////////////////
// Operators: Mobius, campaign-like b,c; heavyish masses so CGNR
// is fast and well-conditioned even on a hot configuration.
////////////////////////////////////////////////////////////////
RealD mden = 0.2;
RealD mnum = 0.5;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
WilsonImplParams p;
p.boundary_phases[0] = 1.0;
p.boundary_phases[1] = 1.0;
p.boundary_phases[2] = 1.0;
p.boundary_phases[3] = -1.0;
MobiusFermionD DenOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mden,M5,b,c,p);
MobiusFermionD NumOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mnum,M5,b,c,p);
RealD tol = 1.0e-12;
Integer maxit = 20000;
typedef WilsonImplD::FermionField FermionField;
CGNRLinearFunction<MobiusFermionD,FermionField> MinvSolver (DenOp,tol,maxit);
CGNRDagLinearFunction<MobiusFermionD,FermionField> MdagInvSolver(DenOp,tol,maxit);
CGNRLinearFunction<MobiusFermionD,FermionField> VinvSolver (NumOp,tol,maxit);
////////////////////////////////////////////////////////////////
// Actions: both wall conventions, plus the V==M trivial control
////////////////////////////////////////////////////////////////
TwoFlavourRatio4DPseudoFermionAction<WilsonImplD> ActSol(NumOp,DenOp,MinvSolver,MdagInvSolver,MinvSolver,VinvSolver,1);
TwoFlavourRatio4DPseudoFermionAction<WilsonImplD> ActSrc(NumOp,DenOp,MinvSolver,MdagInvSolver,MinvSolver,VinvSolver,0);
TwoFlavourRatio4DPseudoFermionAction<WilsonImplD> ActTrivSol(DenOp,DenOp,MinvSolver,MdagInvSolver,MinvSolver,MinvSolver,1);
TwoFlavourRatio4DPseudoFermionAction<WilsonImplD> ActTrivSrc(DenOp,DenOp,MinvSolver,MdagInvSolver,MinvSolver,MinvSolver,0);
////////////////////////////////////////////////////////////////
// T3 controls first (must both pass; isolates plumbing)
////////////////////////////////////////////////////////////////
RealD d3s = HeatbathIdentityTest(ActTrivSol,U,UGrid,"T3 trivial V==M, solution walls");
RealD d3q = HeatbathIdentityTest(ActTrivSrc,U,UGrid,"T3 trivial V==M, source walls");
////////////////////////////////////////////////////////////////
// T1 : the composition-identity adjudication
////////////////////////////////////////////////////////////////
RealD d1s = HeatbathIdentityTest(ActSol,U,UGrid,"T1 ratio, solution walls");
RealD d1q = HeatbathIdentityTest(ActSrc,U,UGrid,"T1 ratio, source walls");
////////////////////////////////////////////////////////////////
// T2 : force consistency (expected PASS for both conventions)
////////////////////////////////////////////////////////////////
MomentumFilterNone<LatticeGaugeField> FilterNone;
ForceTest<GimplTypesR>(ActSol,U,FilterNone);
ForceTest<GimplTypesR>(ActSrc,U,FilterNone);
////////////////////////////////////////////////////////////////
// Summary
////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=========================================================" << std::endl;
std::cout << GridLogMessage << " SUMMARY (relative heatbath defects)" << std::endl;
std::cout << GridLogMessage << " T3 trivial solution walls : " << d3s << std::endl;
std::cout << GridLogMessage << " T3 trivial source walls : " << d3q << std::endl;
std::cout << GridLogMessage << " T1 ratio solution walls : " << d1s << std::endl;
std::cout << GridLogMessage << " T1 ratio source walls : " << d1q << std::endl;
std::cout << GridLogMessage << " T3 must pass for both; T1 selects the wall convention." << std::endl;
std::cout << GridLogMessage << "=========================================================" << std::endl;
GRID_ASSERT(d3s < 1.0e-8);
GRID_ASSERT(d3q < 1.0e-8);
Grid_finalize();
}
+341
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/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/forces/Test_dwf_ratio_leftprec.cc
Copyright (C) 2026
Author: Peter Boyle <pboyle@bnl.gov>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
//
// Correctness of TwoFlavourRatioLeftPrecPseudoFermionAction against the
// decades-proven TwoFlavourRatioPseudoFermionAction. Both classes compute
// the SAME action S = phi^dag V (MdagM)^-1 Vdag phi through different solve
// chains (normal-equations vs left-preconditioned F = Vdag M), so with
// twin-seeded refreshes and 1e-12 solvers they must agree to solver
// tolerance. Tests:
//
// E0a/E0b : heatbath identity, S == 0.5|eta|^2 after RNG refresh, for
// BOTH classes (E0a also validates the twin-eta capture).
// E1 : S_classic == S_leftprec (relative, ~1e-8)
// E2 : deriv_classic == deriv_leftprec (pointwise field norm, ~1e-8)
// F1 : ForceTest (Test_double_ratio.cc idiom) on the LeftPrec class.
//
// All asserts are hard: this is the regression gate for the new class.
// Run small, e.g.: ./Test_dwf_ratio_leftprec --grid 8.8.8.8
//
#include <Grid/Grid.h>
#include <Grid/qcd/action/pseudofermion/TwoFlavourRatioLeftPrec.h>
using namespace std;
using namespace Grid;
////////////////////////////////////////////////////////////////////
// Minimal LinearOperator for the composite F = Vdag M, exposing the
// Hermitian normal operator FdagF for CG. Stencil entries assert.
////////////////////////////////////////////////////////////////////
template<class Impl>
class VdagMNormalOperator : public LinearOperatorBase<typename Impl::FermionField> {
public:
typedef typename Impl::FermionField Field;
FermionOperator<Impl> &VOp;
FermionOperator<Impl> &MOp;
VdagMNormalOperator(FermionOperator<Impl> &V,FermionOperator<Impl> &M) : VOp(V), MOp(M) {};
void Fapply(const Field &in, Field &out) { // out = Vdag M in
Field tmp(in.Grid());
MOp.M(in,tmp);
VOp.Mdag(tmp,out);
}
void FdagApply(const Field &in, Field &out) { // out = Mdag V in
Field tmp(in.Grid());
VOp.M(in,tmp);
MOp.Mdag(tmp,out);
}
virtual void Op (const Field &in, Field &out) { Fapply(in,out); }
virtual void AdjOp (const Field &in, Field &out) { FdagApply(in,out); }
virtual void HermOp (const Field &in, Field &out) {
Field tmp(in.Grid());
Fapply(in,tmp);
FdagApply(tmp,out);
}
virtual void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2) {
HermOp(in,out);
ComplexD dot = innerProduct(in,out);
n1 = real(dot);
n2 = norm2(out);
}
virtual void OpDiag (const Field &in, Field &out) { GRID_ASSERT(0); }
virtual void OpDir (const Field &in, Field &out,int dir,int disp) { GRID_ASSERT(0); }
virtual void OpDirAll(const Field &in, std::vector<Field> &out) { GRID_ASSERT(0); }
};
////////////////////////////////////////////////////////////////////
// F-contract LinearFunctions for the test, both via CG on FdagF:
// forward : F x = b ==> x = (FdagF)^-1 Fdag b
// adjoint : Fdag z = b ==> z = F (FdagF)^-1 b
////////////////////////////////////////////////////////////////////
template<class Impl>
class ForwardFSolve : public LinearFunction<typename Impl::FermionField> {
public:
typedef typename Impl::FermionField Field;
using LinearFunction<Field>::operator();
VdagMNormalOperator<Impl> &FdagF; RealD tol; Integer maxit;
ForwardFSolve(VdagMNormalOperator<Impl> &Op,RealD _tol,Integer _maxit) : FdagF(Op), tol(_tol), maxit(_maxit) {};
void operator()(const Field &in, Field &out) {
Field src(in.Grid());
FdagF.FdagApply(in,src);
ConjugateGradient<Field> CG(tol,maxit);
out = Zero();
CG(FdagF,src,out);
}
};
template<class Impl>
class AdjointFSolve : public LinearFunction<typename Impl::FermionField> {
public:
typedef typename Impl::FermionField Field;
using LinearFunction<Field>::operator();
VdagMNormalOperator<Impl> &FdagF; RealD tol; Integer maxit;
AdjointFSolve(VdagMNormalOperator<Impl> &Op,RealD _tol,Integer _maxit) : FdagF(Op), tol(_tol), maxit(_maxit) {};
void operator()(const Field &in, Field &out) {
Field y(in.Grid());
y = Zero();
ConjugateGradient<Field> CG(tol,maxit);
CG(FdagF,in,y);
FdagF.Fapply(y,out);
}
};
template<class Matrix,class Field>
class NormalEqSolve : public LinearFunction<Field> { // out = (MdagM)^-1 in
public:
using LinearFunction<Field>::operator();
Matrix &_Mat; RealD tol; Integer maxit;
NormalEqSolve(Matrix &Mat,RealD _tol,Integer _maxit) : _Mat(Mat), tol(_tol), maxit(_maxit) {};
void operator()(const Field &in, Field &out) {
MdagMLinearOperator<Matrix,Field> MdagM(_Mat);
ConjugateGradient<Field> CG(tol,maxit);
out = Zero();
CG(MdagM,in,out);
}
};
////////////////////////////////////////////////////////////////////
// ForceTest idiom from Test_double_ratio.cc (midpoint derivative)
////////////////////////////////////////////////////////////////////
template<class Gimpl>
void ForceTest(Action<LatticeGaugeField> &action,LatticeGaugeField & U,MomentumFilterBase<LatticeGaugeField> &Filter)
{
GridBase *UGrid = U.Grid();
std::vector<int> seeds({1,2,3,5});
GridSerialRNG sRNG; sRNG.SeedFixedIntegers(seeds);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds);
LatticeColourMatrix Pmu(UGrid);
LatticeGaugeField P(UGrid);
LatticeGaugeField UdSdU(UGrid);
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
std::cout << GridLogMessage << " Force test for "<<action.action_name()<<std::endl;
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
RealD eps=0.005;
Gimpl::generate_momenta(P,sRNG,RNG4);
Filter.applyFilter(P);
action.refresh(U,sRNG,RNG4);
RealD S1 = action.S(U);
Gimpl::update_field(P,U,eps);
action.deriv(U,UdSdU);
UdSdU = Ta(UdSdU);
Filter.applyFilter(UdSdU);
DumpSliceNorm("Force",UdSdU,Nd-1);
Gimpl::update_field(P,U,eps);
RealD S2 = action.S(U);
LatticeComplex dS(UGrid); dS = Zero();
for(int mu=0;mu<Nd;mu++){
auto UdSdUmu = PeekIndex<LorentzIndex>(UdSdU,mu);
Pmu= PeekIndex<LorentzIndex>(P,mu);
dS = dS - trace(Pmu*UdSdUmu)*eps*2.0*2.0;
}
ComplexD dSpred = sum(dS);
RealD diff = S2-S1-dSpred.real();
std::cout<< GridLogMessage << "+++++++++++++++++++++++++++++++++++++++++++++++++++++++++"<<std::endl;
std::cout<< GridLogMessage << "S1 : "<< S1 <<std::endl;
std::cout<< GridLogMessage << "S2 : "<< S2 <<std::endl;
std::cout<< GridLogMessage << "dS : "<< S2-S1 <<std::endl;
std::cout<< GridLogMessage << "dSpred : "<< dSpred.real() <<std::endl;
std::cout<< GridLogMessage << "diff : "<< diff<<std::endl;
std::cout<< GridLogMessage << "diff/dS : "<< diff/(S2-S1)<<std::endl;
std::cout<< GridLogMessage << "*********************************************************"<<std::endl;
std::cout<< GridLogMessage << "Done" <<std::endl;
std::cout << GridLogMessage << "*********************************************************"<<std::endl;
}
int main (int argc, char ** argv)
{
Grid_init(&argc,&argv);
std::cout << std::setprecision(14);
const int Ls=8;
GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
std::vector<int> seeds4({1,2,3,4});
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
LatticeGaugeField U(UGrid);
SU<Nc>::HotConfiguration(RNG4,U);
////////////////////////////////////////////////////////////////
// Operators: quotient pair (V = PV mass 1, M light-ish), Mobius,
// campaign b,c. Heavyish M so CG is quick on a hot configuration.
////////////////////////////////////////////////////////////////
RealD mden = 0.2;
RealD mnum = 1.0;
RealD M5 = 1.8;
RealD b = 1.5;
RealD c = 0.5;
WilsonImplParams p;
p.boundary_phases[0] = 1.0;
p.boundary_phases[1] = 1.0;
p.boundary_phases[2] = 1.0;
p.boundary_phases[3] = -1.0;
MobiusFermionD DenOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mden,M5,b,c,p);
MobiusFermionD NumOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mnum,M5,b,c,p);
RealD tol = 1.0e-12;
Integer maxit = 30000;
typedef WilsonImplD::FermionField FermionField;
////////////////////////////////////////////////////////////////
// Solvers. Classic: CG as OperatorFunction on the MdagM linop the
// action supplies. LeftPrec: F-contract solves via CG on FdagF.
////////////////////////////////////////////////////////////////
ConjugateGradient<FermionField> CG(tol,maxit);
VdagMNormalOperator<WilsonImplD> FdagF(NumOp,DenOp);
ForwardFSolve<WilsonImplD> Ffwd (FdagF,tol,maxit);
AdjointFSolve<WilsonImplD> Fadj (FdagF,tol,maxit);
NormalEqSolve<MobiusFermionD,FermionField> VdagVinv(NumOp,tol,maxit);
TwoFlavourRatioPseudoFermionAction<WilsonImplD> Classic (NumOp,DenOp,CG,CG);
TwoFlavourRatioLeftPrecPseudoFermionAction<WilsonImplD> LeftPrec(NumOp,DenOp,Ffwd,Fadj,Fadj,VdagVinv);
////////////////////////////////////////////////////////////////
// Twin-seeded refreshes: identical eta into both classes.
////////////////////////////////////////////////////////////////
std::vector<int> seedsR({9,11,13,17});
GridSerialRNG sRNGa; sRNGa.SeedFixedIntegers(seedsR);
GridSerialRNG sRNGb; sRNGb.SeedFixedIntegers(seedsR);
GridParallelRNG RNG5a(FGrid); RNG5a.SeedFixedIntegers(seedsR);
GridParallelRNG RNG5b(FGrid); RNG5b.SeedFixedIntegers(seedsR);
GridParallelRNG RNG5c(FGrid); RNG5c.SeedFixedIntegers(seedsR);
FermionField etaTwin(FGrid);
gaussian(RNG5c,etaTwin); // identical to both refresh draws
Classic.refresh (U,sRNGa,RNG5a);
LeftPrec.refresh(U,sRNGb,RNG5b);
////////////////////////////////////////////////////////////////
// E0 : heatbath identity for both classes
////////////////////////////////////////////////////////////////
RealD Sexpect = 0.5*norm2(etaTwin);
RealD Sc = Classic.S(U);
RealD Sl = LeftPrec.S(U);
RealD e0a = std::abs(Sc-Sexpect)/Sexpect;
RealD e0b = std::abs(Sl-Sexpect)/Sexpect;
std::cout << GridLogMessage << "=========================================================" << std::endl;
std::cout << GridLogMessage << " E0 heatbath identity: 0.5|eta|^2 = " << Sexpect << std::endl;
std::cout << GridLogMessage << " classic S = " << Sc << " rel defect " << e0a
<< ( e0a < 1.0e-8 ? " PASS" : " FAIL" ) << std::endl;
std::cout << GridLogMessage << " leftprec S = " << Sl << " rel defect " << e0b
<< ( e0b < 1.0e-8 ? " PASS" : " FAIL" ) << std::endl;
////////////////////////////////////////////////////////////////
// E1 : action equivalence
////////////////////////////////////////////////////////////////
RealD e1 = std::abs(Sc-Sl)/std::abs(Sc);
std::cout << GridLogMessage << " E1 action equivalence: rel diff = " << e1
<< ( e1 < 1.0e-8 ? " PASS" : " FAIL" ) << std::endl;
////////////////////////////////////////////////////////////////
// E2 : derivative equivalence (pointwise field comparison)
////////////////////////////////////////////////////////////////
LatticeGaugeField dSdUc(UGrid);
LatticeGaugeField dSdUl(UGrid);
LatticeGaugeField dDiff(UGrid);
Classic.deriv (U,dSdUc);
LeftPrec.deriv(U,dSdUl);
dDiff = dSdUc - dSdUl;
RealD e2 = std::sqrt( norm2(dDiff) / norm2(dSdUc) );
std::cout << GridLogMessage << " E2 deriv equivalence: |diff|/|classic| = " << e2
<< ( e2 < 1.0e-8 ? " PASS" : " FAIL" ) << std::endl;
std::cout << GridLogMessage << " |dSdU classic |^2 = " << norm2(dSdUc) << std::endl;
std::cout << GridLogMessage << " |dSdU leftprec|^2 = " << norm2(dSdUl) << std::endl;
std::cout << GridLogMessage << "=========================================================" << std::endl;
////////////////////////////////////////////////////////////////
// F1 : standalone force test on the LeftPrec class
////////////////////////////////////////////////////////////////
MomentumFilterNone<LatticeGaugeField> FilterNone;
ForceTest<GimplTypesR>(LeftPrec,U,FilterNone);
////////////////////////////////////////////////////////////////
// Summary + hard asserts (this is the regression gate)
////////////////////////////////////////////////////////////////
std::cout << GridLogMessage << "=========================================================" << std::endl;
std::cout << GridLogMessage << " SUMMARY" << std::endl;
std::cout << GridLogMessage << " E0a classic heatbath defect : " << e0a << std::endl;
std::cout << GridLogMessage << " E0b leftprec heatbath defect : " << e0b << std::endl;
std::cout << GridLogMessage << " E1 action equivalence : " << e1 << std::endl;
std::cout << GridLogMessage << " E2 deriv equivalence : " << e2 << std::endl;
std::cout << GridLogMessage << "=========================================================" << std::endl;
GRID_ASSERT(e0a < 1.0e-8);
GRID_ASSERT(e0b < 1.0e-8);
GRID_ASSERT(e1 < 1.0e-8);
GRID_ASSERT(e2 < 1.0e-8);
std::cout << GridLogMessage << "All equivalence tests PASSED" << std::endl;
Grid_finalize();
}