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2decomp-fft

Building

Different compilers can be set by specifying CMP, e.g. make CMP=intel to build with Intel compilers, see Makefile for options.

By default an optimised library will be built, debugging versions of the library can be built with make BUILD=debug, a development version which additionally sets compile time flags to catch coding errors can be built with make BUILD=dev (GNU compilers only currently). The behavior of debug and development versions of the library can be changed before the initialization using the variable decomp_debug or the environment variable DECOMP_2D_DEBUG. The value provided with the environment variable must be a positive integer below 9999.

On each build of the library (make, make all) a temporary file Makefile.settings with all current options (FFLAGS, DEFS, etc.) will be created, and included on subsequent invocations, the user therefore does not need to keep specifying options between builds.

To perform a clean build run make clean first, this will delete all output files, including Makefile.settings.

On each build of the library (make, make all) a temporary file Makefile.settings with all current options (FFLAGS, DEFS, etc.) will be created, and included on subsequent invocations, the user therefore does not need to keep specifying options between builds.

To perform a clean build run make clean first, this will delete all output files, including Makefile.settings.

Testing and examples

Various example code to exercise 2decomp functionality can be found under examples/ and can be built from the top-level directory by executing

make check

which will (re)build 2decomp&fft as necessary.

By default this will run the tests/examples on a single rank, launched with mpirun. The number of ranks can be controlled by setting the NP variable and the launcher is overridden by setting MPIRUN, for example to run tests on 4 ranks using an mpiexec launcher installed at ${HOME}/bin/mpiexec the command would be

make NP=4 MPIRUN=${HOME}/bin/mpiexec check

GPU compilation

The library can perform multi GPU offoloading using the NVHPC compiler suite for NVIDIA hardware. The implementation is based on CUDA-aware MPI and NVIDIA Collective Communication Library (NCCL). The FFT is based on cuFFT. To compile the library for GPU it is possible to execute the following

make CMP=nvhpc FFT=cufft PARAMOD=gpu CUFFT_PATH=PATH_TO_NVHPC/Vers/Linux_x86_64/Vers/compilers/ 

The Makefile will look for the relative libraries (NVCC, cuFFT, etc) under the ${CUFFT_PATH}/include NCCL is not activated by default. If NCCL is installed/required use NCCL=yes. The current implementation relays also on opeanACC and on automatic optimization of do concurrent loops. By default the compute architecture for the GPU is 80 (i.e. Ampere), to change it use CCXY=XY

Profiling

Profiling can be activated in the Makefile. Set the variable PROFILER to one of the supported profilers (only caliper currently). If using caliper, provide the installation path in the variable CALIPER_PATH. When the profiling is active, one can tune it before calling decomp_2d_init using the subroutine decomp_profiler_prep. The input argument for this subroutine is a logical array of size 4. Each input allow activation / deactivation of the profiling as follows :

  1. Profile transpose operations (default : true)
  2. Profile IO operations (default : true)
  3. Profile FFT operations (default : true)
  4. Profile decomp_2d init / fin subroutines (default : true)

FFT backends

The library provides a built-in FFT engine and supports various FFT backends : FFTW, Intel oneMKL, Nvidia cuFFT. The FFT engine selected during compilation is available through the variable D2D_FFT_BACKEND defined in the module decomp_2d_fft. The expected value is defined by the integer constants

integer, parameter, public :: D2D_FFT_BACKEND_GENERIC = 0   ! Built-in engine
integer, parameter, public :: D2D_FFT_BACKEND_FFTW3 = 1     ! FFTW
integer, parameter, public :: D2D_FFT_BACKEND_FFTW3_F03 = 2 ! FFTW (Fortran 2003)
integer, parameter, public :: D2D_FFT_BACKEND_MKL = 3       ! Intel oneMKL
integer, parameter, public :: D2D_FFT_BACKEND_CUFFT = 4     ! Nvidia cuFFT

exported by the module decomp_2d_constants. The external code can use the named variables to check the FFT backend used in a given build.

OVERWRITE flag

  • The generic backend supports the OVERWRITE flag but it can not perform in-place transforms
  • The FFTW3 and FFTW3_F03 backends support the OVERWRITE flag and can perform in-place complex 1D fft
  • The oneMKL backend supports the OVERWRITE flag and can perform in-place complex 1D fft
  • The cuFFT backend supports the OVERWRITE flag but it can not perform in-place transforms

Miscellaneous

Print the log to a file or to stdout

Before calling decomp_2d_init, the external code can modify the variable decomp_log to change the output for the log. The expected value is defined by the integer constants

integer, parameter, public :: D2D_LOG_QUIET = 0       ! No logging output
integer, parameter, public :: D2D_LOG_STDOUT = 1      ! Root rank logs output to stdout
integer, parameter, public :: D2D_LOG_TOFILE = 2      ! Root rank logs output to the file "decomp_2d_setup.log"
integer, parameter, public :: D2D_LOG_TOFILE_FULL = 3 ! All ranks log output to a dedicated file

exported by the decomp_2d_constants module. Although their values are shown here, users should not rely on these and are recommended to prefer to use the named variables D2D_LOG_QUIET, etc. instead. The default value used is D2D_LOG_TOFILE for the default build and D2D_LOG_TOFILE_FULL for a debug build.

Change the debug level for debug builds

Before calling decomp_2d_init, the external code can modify the variable decomp_debug to change the debug level. The user can also modify this variable using the environment variable DECOMP_2D_DEBUG. Please note that the environment variable is processed only for debug builds. The expected value for the variable decomp_debug is some integer between 0 and 6, bounds included.

List of preprocessor variables

DEBUG

This variable is automatically added in debug and dev builds. Extra information is printed when it is present.

DOUBLE_PREC

When this variable is not present, the library uses single precision. When it is present, the library uses double precision

SAVE_SINGLE

This variable is valid for double precision builds only. When it is present, snapshots are written in single precision.

PROFILER

This variable is automatically added when selecting the profiler. It activates the profiling sectionsof the code.

EVEN

This preprocessor variable is not valid for GPU builds. It leads to padded alltoall operations.

OVERWRITE

This variable leads to overwrite the input array when computing FFT. The support of this flag does not always correspond to in-place transforms, depending on the FFT backend selected, as described above.

HALO_DEBUG

This variable is used to debug the halo operations.

_GPU

This variable is automatically added in GPU builds.

_NCCL

This variable is valid only for GPU builds. The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking.

OCC

This variable is not supported

SHM

This variable is not supported.

SHM_DEBUG

This variable is not supported

Optional dependencies

FFTW

The library fftw can be used as a backend for the FFT engine. The version 3.3.10 was tested, is supported and can be downloaded here. Please note that one should build fftw and decomp2d against the same compilers. For build instructions, please check here. Below is a suggestion for the compilation of the library in double precision (add --enable-single for a single precision build):

wget http://www.fftw.org/fftw-3.3.10.tar.gz
tar xzf fftw-3.3.10.tar.gz
mkdir fftw-3.3.10_tmp && cd fftw-3.3.10_tmp
../fftw-3.3.10/configure --prefix=xxxxxxx/fftw3/fftw-3.3.10_bld --enable-shared
make -j
make -j check
make install

Caliper

The library caliper can be used to profile the execution of the code. The version 2.9.0 was tested and is supported, version 2.8.0 has also been tested and is still expected to work. Please note that one must build caliper and decomp2d against the same C/C++/Fortran compilers and MPI libray. For build instructions, please check here and here. Below is a suggestion for the compilation of the library using the GNU compilers:

git clone https://github.com/LLNL/Caliper.git caliper_github
cd caliper_github
git checkout v2.9.0
mkdir build && cd build
cmake -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DCMAKE_Fortran_COMPILER=gfortran -DCMAKE_INSTALL_PREFIX=../../caliper_build_2.9.0 -DWITH_FORTRAN=yes -DWITH_MPI=yes -DBUILD_TESTING=yes ../
make -j
make test
make install

3decomp's Projects

3decomp icon 3decomp

Customised 2DECOMP&FFT library for Xcompact3d

incompact3d icon incompact3d

Current CPU version of our solver for the Navier-Stokes equations

nfft icon nfft

The official NFFT library repository

nucfd icon nucfd

NuCFD is a library implementing compact finite difference schemes on non-uniform grids.

poissbox icon poissbox

Testing solving the Poisson equation using iterative solvers

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