/************************************************************************************* Grid physics library, www.github.com/paboyle/Grid Source file: ./examples/Example_pvdagm_mrhs_3level_dense.cc Copyright (C) 2026 Author: Peter Boyle 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 == Example_pvdagm_mrhs_3level.cc with // the L3 PGCR replaced by DistributedDenseInverse (the machinery validated in // Example_pvdagm_3level_dense.cc: VERIFY ~6e-5, apply ~6ms single-RHS). // // The two headline results COMPOSED: mrhs GEMM batching at the coarse level // (the ~12x valence win) x supercoarse-dense exact bottom (the coarsest level // reduced from dominant cost to noise). Under mrhs the dense apply becomes a // GEMM against the resident row-slab: ONE GlobalSum of nrhs packed vectors + // ONE slab pass for all rhs -- per-rhs bottom cost BELOW the single-RHS 6ms. // // Level structure: // L1 (fine) : std::vector, 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 -- DENSE coarse-coarse correction + coarse smoother. // L3 (coarse-coarse): DENSE row-distributed A^{-1} (cgetrf_64 + blocked cgetrs_64, // fp32, ILP64 -- rank N = gSites(CC) x nbasis, e.g. 69120 at // BLOCK2=8.4.3.6 x nb60). DENSE_CC=0 reverts to the L3 PGCR. // // SUPERCOARSE default: BLOCK2 = 8,4,3,6 (CC = [3,6,8,8], the dense floor on // --mpi 3.6.4.4; sigma spectrum is FLAT across all 60 vectors => keep nb60). // // RAW-NULL DISCIPLINE unchanged (see project_block_orthogonalise_leak): guards // print || - I||_F at both levels (~0.23 good, ~sqrt(N) = e_k leak). // // Build (Frontier/HIP): LIBS += -lrocsolver -lrocblas. // Run: --device-mem 40000 (solve-phase residency; EvictAll makes the setup // window; boss GCD holds 38.2GB dA + 141MB dB at BLOCK2=8.4.3.6 nb60). // // Env: MASS SUBSPACE_FILE NRHS // BLOCK (dotted, default 2.2.2.2) BLOCK2 (dotted, default 8.4.3.6) // FineSmootherShift FineSmootherOrder // CoarseSmootherShift CoarseSmootherNstep // CoarseSolverTol CoarseSolverOrder // DENSE_CC (default 1) DENSE_CC_CHECK // L3_TOL L3_MAXIT L3_NSTEP (iterative branch only) // OuterMmax OuterNstep OuterTol #include #include #include #include #include #include #ifdef GRID_HIP #include #endif 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 void saveSubspace(std::vector &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 void loadSubspace(std::vector &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 PVdagMLinearOperator : public LinearOperatorBase { 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 &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 ShiftedPVdagMLinearOperator : public LinearOperatorBase { 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 &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 ShiftedLinearOperator : public LinearOperatorBase { LinearOperatorBase &_Op; RealD shift; public: ShiftedLinearOperator(RealD _shift, LinearOperatorBase &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 &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); } }; ////////////////////////////////////////////////////////////////////////////////////// // DistributedDenseInverse: exact solve of a (small) coarse operator by explicit, // row-distributed dense inverse. VALIDATED single-RHS in Example_pvdagm_3level_dense.cc // (VERIFY ~6e-5). Setup: probe columns -> exact chunked GlobalSum gather streamed // into the boss-GCD device buffer -> cgetrf_64 (ILP64) -> rows of A^{-1} produced // blockwise via cgetrs_64 on identity-column blocks and broadcast; each rank keeps // the rows of ITS OWN sites (ownership-aligned => apply needs ONE GlobalSum only). // // NEW HERE: ApplyBatch -- the mrhs form. ONE GlobalSum of all nrhs packed vectors, // ONE pass over the slab computing all rhs (GEMM shape). Per-rhs cost < single-RHS. // // Tensor-depth agnostic: site scalar_object treated as nbasis contiguous ComplexD. ////////////////////////////////////////////////////////////////////////////////////// template class DistributedDenseInverse : public LinearFunction { public: using LinearFunction::operator(); typedef typename Field::vector_object vobj; typedef typename vobj::scalar_object sobj; GridBase *grid; LinearOperatorBase &_Op; // kept for env-gated defect checks (DENSE_CC_CHECK) int nbasis; int64_t N; // dense rank = gSites * nbasis int nd; int lsites; // my local sites int nrows; // my rows = lsites * nbasis std::vector myLcoor; // local coordinate of my site ss std::vector myGsite; // global lex site index of my site ss std::vector slab; // nrows x N row-major rows of A^{-1} // CHUNKROWS=1024: fatter cgetrs_64 calls (trsm efficiency grows with nrhs; // 256 gave ~7s/chunk => 32min setup) and 4x fewer broadcasts. Buffers 566MB. static const int64_t CHUNKROWS = 1024; static const int MRHS_MAX = 32; #ifdef GRID_HIP rocblas_float_complex *dSlab = nullptr; // device-resident copy of the slab (all ranks) rocblas_handle applyHandle; // per-rank handle for the apply GEMM // Persistent apply buffers, hoisted out of the per-call path: pinned host // staging (full PCIe rate, no page faults) + device X/Y (no per-call // hipMalloc/hipFree). Sized once for MRHS_MAX. ComplexF *hXapply = nullptr; ComplexF *hYapply = nullptr; rocblas_float_complex *dXapply = nullptr; rocblas_float_complex *dYapply = nullptr; int devSum = 0; // DENSE_DEVICE_SUM=1: allreduce the DEVICE buffer // (GPU-aware MPI, no host staging); default host sum #endif // NB: the apply GEMM (Y = slab^dag X) is a tiny-output/huge-K shape that // under-fills the GPU (~13ms). The fix is a software split-K via // GridBLAS.gemmBatched (see MultiRHSBlockCGLinalg.h / 2409.03904 Fig 11) — // NOT a raw rocblas strided-batched batch, which hung on Frontier and was // removed. TODO: reimplement through GridBLAS when the ~1.4 s/RHS is wanted. DistributedDenseInverse(LinearOperatorBase &Op, GridBase *g, int nbasis_) : grid(g), _Op(Op), nbasis(nbasis_) { GRID_ASSERT( sizeof(sobj) == nbasis*sizeof(ComplexD) ); // site object == nbasis ComplexD nd = grid->_ndimension; N = grid->gSites() * nbasis; lsites = grid->lSites(); nrows = lsites * nbasis; Coordinate ldims = grid->LocalDimensions(); Coordinate gdims = grid->GlobalDimensions(); std::cout << GridLogMessage << "DistributedDenseInverse: 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 //////////////////////////////////////////////////////////////////// myLcoor.resize(lsites); myGsite.resize(lsites); for(int ss=0; ss_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= -> per-rank raw file .. // Present: load, skip probe/gather/factor/solve (setup ~free on // resubmits and sweeps). Absent: full setup, then write it. // VERIFY below runs in BOTH paths, certifying loaded data. //////////////////////////////////////////////////////////////////// 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 << "DistributedDenseInverse: slab loaded from " << slabfile << " -- skipping probe/factor/solve" << std::endl; } else { std::cout << GridLogMessage << "DistributedDenseInverse: slab cache " << slabfile << " absent -- full setup, will write it" << std::endl; } } if (!loaded) { //////////////////////////////////////////////////////////////////// // 1. PROBE assembly of my rows of A: column (jsite,b) = Op(e_{jsite,b}) //////////////////////////////////////////////////////////////////// Field e(grid); Field Ae(grid); Coordinate gcoorj(nd); int64_t gsitesN = grid->gSites(); for(int64_t jsite=0; jsiteIsBoss(); std::vector Afull; #ifdef GRID_HIP rocblas_float_complex *dA = nullptr; rocblas_float_complex *dB = nullptr; // getrs_64 RHS block (CHUNKROWS identity columns) rocblas_handle rochandle; int64_t *dIpiv = nullptr; // ILP64 pivots, live from factor to last getrs uint64_t Abytes = (uint64_t)N * N * sizeof(ComplexF); // Make HBM space for the naked hipMalloc: flush the device-copy layer. // (FreePool of the allocator free-list awaits the type-dispatched fix.) MemoryManager::EvictAll(); // MemoryManager::FreePool(); if (boss) { auto aerr = hipMalloc((void **)&dA, Abytes); if (aerr != hipSuccess) { std::cout << GridLogMessage << "DistributedDenseInverse: hipMalloc of " << Abytes/1024./1024./1024. << " GB FAILED -- reduce --device-mem " << "or enable the fixed MemoryManager::FreePool()" << std::endl; GRID_ASSERT(aerr == hipSuccess); } std::cout << GridLogMessage << "DistributedDenseInverse: device inversion buffer allocated (" << Abytes/1024./1024./1024. << " GB)" << std::endl; } #else if (boss) Afull.resize((uint64_t)N * N); #endif { std::unordered_map rowmap; // global row -> my slab row for(int ss=0; ss chunk((uint64_t)CHUNKROWS * N); for(int64_t row0=0; row0second) * N; uint64_t dst = (uint64_t)(r-row0) * N; for(int64_t j=0;jGlobalSumVector(&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 LU of A^T. //////////////////////////////////////////////////////////////////// if (boss) { #ifdef GRID_HIP std::cout << GridLogMessage << "DistributedDenseInverse: rocSOLVER cgetrf_64 (ILP64 LU) N=" << N << " in place on resident device buffer" << std::endl; auto hst = rocblas_create_handle(&rochandle); std::cout << GridLogMessage << "DistributedDenseInverse: rocblas handle status " << (int)hst << std::endl; 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(rochandle, (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 << "DistributedDenseInverse: 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 << "DistributedDenseInverse: Eigen fallback inversion N=" << N << (N > 10000 ? " (WARNING: SLOW; use the HIP/rocSOLVER path)" : "") << std::endl; typedef Eigen::Matrix,Eigen::Dynamic,Eigen::Dynamic,Eigen::RowMajor> MatF; Eigen::Map A(reinterpret_cast*>(&Afull[0]), N, N); MatF Ainv = A.inverse(); A = Ainv; #endif } double t3 = usecond(); std::cout << GridLogMessage << "DistributedDenseInverse: factorisation took " << (t3-t2)/1.0e6 << " s" << std::endl; //////////////////////////////////////////////////////////////////// // 4. Blocked solve + broadcast: rows of A^{-1} chunk by chunk; each // rank keeps the rows of its own sites (ownership-aligned). //////////////////////////////////////////////////////////////////// { std::unordered_map rowmap; for(int ss=0; ss chunk((uint64_t)CHUNKROWS * N); for(int64_t row0=0; row0Broadcast(0, &chunk[0], nelem*sizeof(ComplexF)); for(int64_t r=row0; rsecond) * N; uint64_t src = (uint64_t)(r-row0) * N; for(int64_t j=0;j x((uint64_t)N, ComplexD(0.0,0.0)); for(int ss=0; ssGlobalSumVector(&x[0], (int)N); std::vector y(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 X(nX, ComplexD(0.0,0.0)); { autoView(iv, in, CpuRead); Coordinate c6(nd+1); for(int ss=0; ssGlobalSumVector(&X[0], (int)nX); std::vector Y((uint64_t)nrows*nr); thread_for(r_, nrows, { ComplexD acc[MRHS_MAX]; for(int rr=0; rr class MrhsDenseCCSolve : public LinearFunction { public: DistributedDenseInverse &_Dense; GridBase *_CoarseCoarse5d; int _nrhs; MrhsDenseCCSolve(DistributedDenseInverse &D, GridBase *cc5d, int nrhs) : _Dense(D), _CoarseCoarse5d(cc5d), _nrhs(nrhs) {} using LinearFunction::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 split_in (_nrhs,_CoarseCoarse5d); std::vector 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 Example_pvdagm_mrhs.cc) ////////////////////////////////////////////////////////////////////// template class MrhsLinearFunction { public: virtual void operator()(std::vector &in, std::vector &out) = 0; }; template 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 &Linop; MrhsLinearFunction &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 &_Linop,MrhsLinearFunction &Prec,int _mmax,int _nstep) : Tolerance(tol),MaxIterations(maxit),Linop(_Linop),Preconditioner(Prec),mmax(_mmax),nstep(_nstep){ level=1; } static RealD vnorm2(std::vector &x){ RealD s=0; for(auto &f:x) s+=norm2(f); return s; } static ComplexD vinnerProduct(std::vector &x,std::vector &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 &z,ComplexD a,std::vector &x,std::vector &y){ for(int r=0;r<(int)z.size();r++) axpy(z[r],a,x[r],y[r]); } void vOp(std::vector &in,std::vector &out){ for(int r=0;r<(int)in.size();r++) Linop.Op(in[r],out[r]); } void operator()(std::vector &src,std::vector &psi){ RealD cp,ssq,rsq; int nrhs=src.size(); GridBase *grid=src[0].Grid(); ssq=vnorm2(src); rsq=Tolerance*Tolerance*ssq; std::vector r(nrhs,grid); GridStopWatch T; T.Start(); steps=0; FirstCycle=1; for(int k=0;k &src,std::vector &psi,RealD rsq){ RealD cp; ComplexD a,b,rq; RealD zAAz; int nrhs=src.size(); GridBase *grid=src[0].Grid(); std::vector r(nrhs,grid),z(nrhs,grid),Az(nrhs,grid); std::vector< std::vector > q(mmax,std::vector(nrhs,grid)); std::vector< std::vector > p(mmax,std::vector(nrhs,grid)); std::vector qq(mmax); std::cout<(mmax-1))?(mmax-1):(kp); for(int back=0;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 now takes EITHER the dense mrhs solve // (DENSE_CC=1) or the L3 PGCR (DENSE_CC=0). ////////////////////////////////////////////////////////////////////// template class MrhsCoarseThreeLevelPrec : public LinearFunction { public: LinearOperatorBase &_CoarseOp; // mrhs coarse op (6D) LinearFunction &_CoarseSmoother; // shifted 6D coarse smoother MultiRHSBlockProject &_Projector; // L2->L3 (vector-based) LinearFunction &_CoarseCoarseSolve; // L3 solve (6D cc) GridBase *_Coarse5d, *_CoarseCoarse5d, *_CoarseCoarseMrhs; int _nrhs; MrhsCoarseThreeLevelPrec(LinearOperatorBase &CoarseOp, LinearFunction &CoarseSmoother, MultiRHSBlockProject &Projector, LinearFunction &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::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 -> blockProject -> vector -> pack 6D cc std::vector csplit(nrhs,_Coarse5d); std::vector ccsplit(nrhs,_CoarseCoarse5d); CoarseCoarseField CCsrc(_CoarseCoarseMrhs); CoarseCoarseField CCsol(_CoarseCoarseMrhs); t=-usecond(); for(int r=0;rL3 restrict took "< blockPromote -> pack 6D coarse; add correction t=-usecond(); for(int r=0;rL3 prolong took "<L2 mrhs V-cycle (verbatim from Example_pvdagm_mrhs.cc) ////////////////////////////////////////////////////////////////////// template class MrhsTwoLevelMG : public MrhsLinearFunction { public: typedef MrhsCoarseVector CoarseVector; LinearOperatorBase &_FineOperator; FineSmoother &_PostSmoother; MultiRHSBlockProject &_Projector; LinearFunction &_CoarseSolve; GridBase *_CoarseGrid, *_CoarseGridMrhs; MrhsTwoLevelMG(LinearOperatorBase &FineOp, FineSmoother &Post, MultiRHSBlockProject &Projector, LinearFunction &CoarseSolve, GridBase *CoarseGrid, GridBase *CoarseGridMrhs) : _FineOperator(FineOp),_PostSmoother(Post),_Projector(Projector),_CoarseSolve(CoarseSolve), _CoarseGrid(CoarseGrid),_CoarseGridMrhs(CoarseGridMrhs){} virtual void operator()(std::vector &in, std::vector &out){ int nrhs=in.size(); GridBase *fgrid=in[0].Grid(); double t; std::vector vec1(nrhs,fgrid),vec2(nrhs,fgrid); for(int r=0;r 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 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 PVdagM_t; typedef ShiftedPVdagMLinearOperator ShiftedPVdagM_t; // Level 1 tensor types typedef GeneralCoarsenedMatrix LittleDiracOperator; typedef MultiGeneralCoarsenedMatrix MrhsLittleDiracOperator; typedef LittleDiracOperator::CoarseVector CoarseVector; typedef Aggregation Subspace; // Level 2 tensor types (coarsening deepens the nest by one iScalar) typedef CoarseVector::vector_object CoarseSiteObj; typedef iScalar vTTComplex; typedef GeneralCoarsenedMatrix LittleDiracOperatorL2; typedef MultiGeneralCoarsenedMatrix MrhsLittleDiracOperatorL2; typedef LittleDiracOperatorL2::CoarseVector CoarseCoarseVector; typedef Aggregation SubspaceL2; 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 rawNull(nbasis,FGrid); for(int k=0;kL2 and L2->L3 with SINGLE-RHS machinery; import to mrhs via // CopyMatrix. The L2 (coarse-coarse) single-RHS operator is HOISTED to // main scope: it is tiny at the supercoarse blocking and the dense setup // (probe/VERIFY/defect checks) needs it alive for the whole run. ////////////////////////////////////////////////////////////////////// MrhsLittleDiracOperator mrhsLittleDiracOpPV(geom, CoarseMrhs); MrhsLittleDiracOperatorL2 mrhsLittleDiracOpL2(geom2, CoarseCoarseMrhs); MultiRHSBlockProject MrhsProjector; MultiRHSBlockProject MrhsProjectorL2; LittleDiracOperatorL2 LittleDiracOpL2(geom2,Coarse5d,CoarseCoarse5d); NonHermitianLinearOperator 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 LinOpCoarse(LittleDiracOpPV); // --- psi_coarse = P^dag (RAW fine null) -> Galerkin images, NOT e_k --- std::vector psi_coarse(nbasis,Coarse5d); for(int k=0;k - I||_F = "<L3 single-RHS coarsening --- SubspaceL2 AggregatesL2(CoarseCoarse5d,Coarse5d,cb); for(int k=0;k psi_cc(nbasis,CoarseCoarse5d); for(int k=0;k - I||_F = "< mrhsLinOpCoarse(mrhsLittleDiracOpPV); NonHermitianLinearOperator mrhsLinOpCC(mrhsLittleDiracOpL2); ////////////////////////////////////////////////////////////////////// // DENSE coarse-coarse bottom (constructed AFTER the fine coarsening frees // its memory peak; needs only the hoisted single-RHS LinOpCC5d). ////////////////////////////////////////////////////////////////////// std::unique_ptr> DenseCC; std::unique_ptr> MrhsDenseCC; if (UseDenseCC) { std::cout << GridLogMessage << "**********************************************" << std::endl; std::cout << GridLogMessage << " Dense CC inverse setup (mrhs bottom)" << std::endl; std::cout << GridLogMessage << "**********************************************" << std::endl; DenseCC.reset(new DistributedDenseInverse(LinOpCC5d, CoarseCoarse5d, nbasis)); MrhsDenseCC.reset(new MrhsDenseCCSolve(*DenseCC, CoarseCoarse5d, nrhs)); } ////////////////////////////////////////////////////////////////////// // Solvers, innermost first. ////////////////////////////////////////////////////////////////////// TrivialPrecon simpleC; TrivialPrecon simpleCC; TrivialPrecon simple_fine; // L3 (coarse-coarse) iterative solve: PGCR on the 6D cc operator (DENSE_CC=0 branch) PrecGeneralisedConjugateResidualNonHermitian L3PGCR(L3Tol,L3MaxIt,mrhsLinOpCC,simpleCC,L3Nstep,L3Nstep); L3PGCR.Level(3); L3PGCR.Name("CCouter"); LinearFunction *ccSolve; if (UseDenseCC) ccSolve = MrhsDenseCC.get(); else ccSolve = &L3PGCR; // L2 coarse smoother: shifted 6D coarse op, fixed nstep ShiftedLinearOperator ShiftedMrhsCoarse(CoarseSmootherShift, mrhsLinOpCoarse); PrecGeneralisedConjugateResidualNonHermitian 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 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 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 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 FineSmoother_t; MrhsTwoLevelMG ThreeLevelPrecon(PVdagM, SmootherGCR, MrhsProjector, L2PGCR, Coarse5d, CoarseMrhs); // Outer mrhs solve MrhsPGCRNonHermitian 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 src(nrhs,FGrid), sol(nrhs,FGrid); for(int r=0;r