README.md

This is OPAL-X

BUILDING OPAL-X on Merlin

Modules needed OPENMP build

cmake/3.25.2

openmpi/4.1.5_slurm

fftw/3.3.10_merlin6    

gsl/2.7                

H5hut/2.0.0rc6_slurm

gcc/12.3.0             

boost/1.82.0_slurm     

gtest/1.13.0-1         

hdf5/1.10.8_slurm     

gnutls/3.5.19

Clone repo and build opal-x with OPENMP

$ git clone git@gitlab.psi.ch:OPAL/opal-x/src.git opal-x

$ cd opal-x

$ ./gen_OPALrevision

To compile for OPENMP:

$ mkdir build_openmp && cd build_openmp
$ cmake .. -DCMAKE_BUILD_TYPE=Debug -DCMAKE_CXX_STANDARD=20  -DENABLE_SOLVERS=ON  -DENABLE_FFT=ON -DIPPL_PLATFORMS=openmp

To compile for GPU, for example Amper80 on Gwendolen

$ mkdir build_cuda && cd build_cuda

in debug mode:

$ cmake .. -DCMAKE_BUILD_TYPE=Debug -DIPPL_PLATFORMS=CUDA -DKokkos_ARCH_AMPERE80=ON -DCMAKE_CXX_STANDARD=20 -DENABLE_FFT=ON  -DENABLE_SOLVERS=ON

and release (optimized) mode:

$ cmake .. -DCMAKE_BUILD_TYPE=Release -DIPPL_PLATFORMS=CUDA -DKokkos_ARCH_AMPERE80=ON -DCMAKE_CXX_STANDARD=20 -DENABLE_FFT=ON  -DENABLE_SOLVERS=ON

To compile for other GPU architecture, like Pascal on the Merlin's login node

$ mkdir build_cuda_login && cd build_cuda_login

in debug mode:

$ cmake .. -DCMAKE_BUILD_TYPE=Debug -DIPPL_PLATFORMS=CUDA -DKokkos_ARCH_PASCAL61=ON -DCMAKE_CXX_STANDARD=20 -DENABLE_FFT=ON  -DENABLE_SOLVERS=ON

and release (optimized) mode:

$ cmake .. -DCMAKE_BUILD_TYPE=Release -DIPPL_PLATFORMS=CUDA -DKokkos_ARCH_PASCAL61=ON -DCMAKE_CXX_STANDARD=20 -DENABLE_FFT=ON  -DENABLE_SOLVERS=ON

The documentation has been moved to the Wiki.