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| author | a.kudelin | 2019-04-29 21:07:27 +0300 |
|---|---|---|
| committer | a.kudelin | 2019-04-29 21:12:05 +0300 |
| commit | b90b1ed4314605a10cbf19be73a652d20e9d569c (patch) | |
| tree | 5bc3b43f44f55d211acbf18840a355e883f6359e /cuda.psmp | |
| parent | 1e7710db90153c60362461c1baa39826da8c0fad (diff) | |
| download | aur-b90b1ed4314605a10cbf19be73a652d20e9d569c.tar.gz | |
Added MPI support and regtesting
Diffstat (limited to 'cuda.psmp')
| -rw-r--r-- | cuda.psmp | 49 |
1 files changed, 49 insertions, 0 deletions
diff --git a/cuda.psmp b/cuda.psmp new file mode 100644 index 000000000000..8746c384c1c2 --- /dev/null +++ b/cuda.psmp @@ -0,0 +1,49 @@ +CC = gcc +CXX = g++ +CPP = +FC = mpifort +LD = mpifort +NVCC = nvcc +# +GPUVER = K20X +# +AR = ar -r +# +DFLAGS = -D__FFTW3 \ + -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__MAX_CONTR=4 \ + -D__parallel -D__SCALAPACK \ + -D__LIBXC \ + -D__ACC -D__DBCSR_ACC -D__PW_CUDA +# +INCS = -I/usr/include \ + -I/opt/cuda/include +# +OPTFLAGS = -O3 -march=native -fopenmp +# +CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) +CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 +CPPFLAGS = +FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -ffree-form -ffree-line-length-none +NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ + -gencode arch=compute_30,code=sm_30 \ + -gencode arch=compute_32,code=sm_32 \ + -gencode arch=compute_35,code=sm_35 \ + -gencode arch=compute_50,code=sm_50 \ + -gencode arch=compute_52,code=sm_52 \ + -gencode arch=compute_53,code=sm_53 \ + -gencode arch=compute_60,code=sm_60 \ + -gencode arch=compute_61,code=sm_61 \ + -gencode arch=compute_62,code=sm_62 \ + -gencode arch=compute_70,code=sm_70 \ + -gencode arch=compute_72,code=sm_72 \ + -gencode arch=compute_75,code=sm_75 +# +LDFLAGS = $(FCFLAGS) +# +LIBS = -L/opt/cuda/lib64 -lcudart -lcublas -lcufft -lrt -lnvrtc \ + -lscalapack -lblas -llapack \ + -lfftw3 -lfftw3_threads \ + /usr/lib/libderiv.a \ + /usr/lib/libint.a \ + -lxcf03 -lxc \ + -lstdc++ -lpthread -lm -ldl -lz |