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README update
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README.md
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README.md
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**Data parallel C++ mathematical object library.**
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Please send all pull requests to the `develop` branch.
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License: GPL v2.
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Last update 2016/08/03.
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Last update Nov 2016.
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_Please send all pull requests to the `develop` branch._
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### Bug report
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_To help us tracking and solving more efficiently issues with Grid, please report problems using the issue system of GitHub rather than sending emails to Grid developers._
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When you file an issue, please go though the following checklist:
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1. Check that the code is pointing to the `HEAD` of `develop` or any commit in `master` which is tagged with a version number.
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2. Give a description of the target platform (CPU, network, compiler).
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3. Give the exact `configure` command used.
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4. Attach `config.log`.
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5. Attach `config.summary`.
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6. Attach the output of `make V=1`.
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7. Describe the issue and any previous attempt to solve it. If relevant, show how to reproduce the issue using a minimal working example.
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### Description
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This library provides data parallel C++ container classes with internal memory layout
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@ -42,7 +58,7 @@ optimally use MPI, OpenMP and SIMD parallelism under the hood. This is a signifi
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for most programmers.
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The layout transformations are parametrised by the SIMD vector length. This adapts according to the architecture.
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Presently SSE4 (128 bit) AVX, AVX2 (256 bit) and IMCI and AVX512 (512 bit) targets are supported (ARM NEON and BG/Q QPX on the way).
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Presently SSE4 (128 bit) AVX, AVX2, QPX (256 bit), IMCI, and AVX512 (512 bit) targets are supported (ARM NEON on the way).
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These are presented as `vRealF`, `vRealD`, `vComplexF`, and `vComplexD` internal vector data types. These may be useful in themselves for other programmers.
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The corresponding scalar types are named `RealF`, `RealD`, `ComplexF` and `ComplexD`.
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@ -50,7 +66,7 @@ The corresponding scalar types are named `RealF`, `RealD`, `ComplexF` and `Compl
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MPI, OpenMP, and SIMD parallelism are present in the library.
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Please see https://arxiv.org/abs/1512.03487 for more detail.
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### Installation
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### Quick start
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First, start by cloning the repository:
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``` bash
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@ -71,12 +87,10 @@ mkdir build; cd build
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../configure --enable-precision=double --enable-simd=AVX --enable-comms=mpi-auto --prefix=<path>
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```
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where `--enable-precision=` set the default precision (`single` or `double`),
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`--enable-simd=` set the SIMD type (see possible values below), `--enable-
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comms=` set the protocol used for communications (`none`, `mpi`, `mpi-auto` or
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`shmem`), and `<path>` should be replaced by the prefix path where you want to
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install Grid. The `mpi-auto` communication option set `configure` to determine
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automatically how to link to MPI. Other options are available, use `configure
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where `--enable-precision=` set the default precision,
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`--enable-simd=` set the SIMD type, `--enable-
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comms=`, and `<path>` should be replaced by the prefix path where you want to
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install Grid. Other options are detailed in the next section, you can also use `configure
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--help` to display them. Like with any other program using GNU autotool, the
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`CXX`, `CXXFLAGS`, `LDFLAGS`, ... environment variables can be modified to
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customise the build.
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@ -93,24 +107,86 @@ To minimise the build time, only the tests at the root of the `tests` directory
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make -C tests/<subdir> tests
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```
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### Build configuration options
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- `--prefix=<path>`: installation prefix for Grid.
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- `--with-gmp=<path>`: look for GMP in the UNIX prefix `<path>`
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- `--with-mpfr=<path>`: look for MPFR in the UNIX prefix `<path>`
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- `--with-fftw=<path>`: look for FFTW in the UNIX prefix `<path>`
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- `--enable-lapack[=<path>]`: enable LAPACK support in Lanczos eigensolver. A UNIX prefix containing the library can be specified (optional).
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- `--enable-mkl[=<path>]`: use Intel MKL for FFT (and LAPACK if enabled) routines. A UNIX prefix containing the library can be specified (optional).
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- `--enable-numa`: ???
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- `--enable-simd=<code>`: setup Grid for the SIMD target `<code>` (default: `GEN`). A list of possible SIMD targets is detailed in a section below.
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- `--enable-precision={single|double}`: set the default precision (default: `double`).
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- `--enable-precision=<comm>`: Use `<comm>` for message passing (default: `none`). A list of possible SIMD targets is detailed in a section below.
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- `--enable-rng={ranlux48|mt19937}`: choose the RNG (default: `ranlux48 `).
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- `--disable-timers`: disable system dependent high-resolution timers.
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- `--enable-chroma`: enable Chroma regression tests.
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### Possible communication interfaces
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The following options can be use with the `--enable-simd=` option to target different communication interfaces:
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| `<comm>` | Description |
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| ------------- | -------------------------------------------- |
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| `none` | no communications |
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| `mpi[-auto]` | MPI communications |
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| `mpi3[-auto]` | MPI communications using MPI 3 shared memory |
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| `shmem ` | Cray SHMEM communications |
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For `mpi` and `mpi3` the optional `-auto` suffix instructs the `configure` scripts to determine all the necessary compilation and linking flags. This is done by extracting the informations from the MPI wrapper specified in the environment variable `MPICXX` (if not specified `configure` will scan though a list of default names).
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### Possible SIMD types
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The following options can be use with the `--enable-simd=` option to target different SIMD instruction sets:
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| String | Description |
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| `<code>` | Description |
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| ----------- | -------------------------------------- |
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| `GEN` | generic portable vector code |
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| `SSE4` | SSE 4.2 (128 bit) |
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| `AVX` | AVX (256 bit) |
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| `AVXFMA4` | AVX (256 bit) + FMA |
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| `AVXFMA` | AVX (256 bit) + FMA |
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| `AVXFMA4` | AVX (256 bit) + FMA4 |
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| `AVX2` | AVX 2 (256 bit) |
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| `AVX512` | AVX 512 bit |
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| `AVX512MIC` | AVX 512 bit for Intel MIC architecture |
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| `ICMI` | Intel ICMI instructions (512 bit) |
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| `QPX` | QPX (256 bit) |
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Alternatively, some CPU codenames can be directly used:
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| String | Description |
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| `<code>` | Description |
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| ----------- | -------------------------------------- |
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| `KNC` | [Intel Knights Corner](http://ark.intel.com/products/codename/57721/Knights-Corner) |
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| `KNL` | [Intel Knights Landing](http://ark.intel.com/products/codename/48999/Knights-Landing) |
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| `KNC` | [Intel Xeon Phi codename Knights Corner](http://ark.intel.com/products/codename/57721/Knights-Corner) |
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| `KNL` | [Intel Xeon Phi codename Knights Landing](http://ark.intel.com/products/codename/48999/Knights-Landing) |
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| `BGQ` | Blue Gene/Q |
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#### Notes:
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- We currently support AVX512 only for the Intel compiler. Support for GCC and clang will appear in future versions.
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- For BG/Q only [bgclang](http://trac.alcf.anl.gov/projects/llvm-bgq) is supported. We do not presently plan to support more compilers for this platform.
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- BG/Q performances are currently rather poor. This is being investigated for future versions.
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### Build setup for Intel Knights Landing platform
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The following configuration is recommended for the Intel Knights Landing platform:
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``` bash
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../configure --enable-precision=double\
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--enable-simd=KNL \
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--enable-comms=mpi3-auto \
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--with-gmp=<path> \
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--with-mpfr=<path> \
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--enable-mkl \
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CXX=icpc MPICXX=mpiicpc
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```
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where `<path>` is the UNIX prefix where GMP and MPFR are installed. If you are working on a Cray machine that does not use the `mpiicpc` wrapper, please use:
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``` bash
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../configure --enable-precision=double\
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--enable-simd=KNL \
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--enable-comms=mpi3 \
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--with-gmp=<path> \
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--with-mpfr=<path> \
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--enable-mkl \
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CXX=CC CC=cc
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```
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