LBPM/sample_scripts/configure_tinker_A100
2021-12-16 20:35:06 -05:00

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# load the module for cmake
module reset
module load CMake
#module load CUDA
#module load OpenMPI
#module load cuda11.2/toolkit
module load OpenMPI/4.0.5-gcccuda-2020b
module load HDF5
#export GCC_BIN=/apps/easybuild/software/tinkercliffs-rome_a100/GCCcore/10.2.0/bin
cmake \
-D CMAKE_C_COMPILER:PATH=mpicc \
-D CMAKE_CXX_COMPILER:PATH=mpicxx \
-D CMAKE_C_FLAGS="-fPIC" \
-D CMAKE_CXX_FLAGS="-fPIC" \
-D MPIEXEC=mpirun \
-D USE_EXT_MPI_FOR_SERIAL_TESTS:BOOL=TRUE \
-D CMAKE_BUILD_TYPE:STRING=Release \
-D USE_CUDA=1 \
-D CMAKE_CUDA_FLAGS="-arch sm_80" \
-D CMAKE_CUDA_HOST_COMPILER="$GCC_BIN/gcc" \
-D USE_HDF5=1 \
-D HDF5_DIRECTORY=$HDF5_DIR \
-D USE_SILO=0 \
-D SILO_DIRECTORY=$SILO_DIR \
-D USE_TIMER=0 \
~/LBPM-WIA
make VERBOSE=1 -j4 && make install