diff options
Diffstat (limited to 'cuda_plumed.psmp')
| -rw-r--r-- | cuda_plumed.psmp | 117 |
1 files changed, 58 insertions, 59 deletions
diff --git a/cuda_plumed.psmp b/cuda_plumed.psmp index d36c7c471860..2f4e9efb5114 100644 --- a/cuda_plumed.psmp +++ b/cuda_plumed.psmp @@ -1,61 +1,60 @@ -CC = gcc -CXX = g++ -CPP = -FC = mpifort -LD = mpifort - -NVCC = nvcc -GPUVER = $(_gpuver) - -AR = ar -r - -DFLAGS = -D__FFTW3 \ - -D__LIBINT \ - -D__parallel -D__SCALAPACK \ - -D__ELPA \ - -D__LIBXSMM \ - -D__LIBXC \ - -D__SPGLIB \ - -D__SIRIUS \ - -D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__GRID_CUDA \ - -D__PLUMED2 - -INCS = -I/usr/include \ - -I/usr/include/elpa_openmp-$(_elpaver)/elpa \ - -I/usr/include/elpa_openmp-$(_elpaver)/modules \ - -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 \ - -fallow-argument-mismatch -NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ - -gencode arch=compute_35,code=sm_35 \ - -gencode arch=compute_37,code=sm_37 \ - -gencode arch=compute_50,code=sm_50 \ - -gencode arch=compute_52,code=sm_52 \ - -gencode arch=compute_60,code=sm_60 \ - -gencode arch=compute_61,code=sm_61 \ - -gencode arch=compute_70,code=sm_70 \ - -gencode arch=compute_75,code=sm_75 \ - -gencode arch=compute_80,code=sm_80 \ - -gencode arch=compute_86,code=sm_86 \ - -Wno-deprecated-gpu-targets -LDFLAGS = $(FCFLAGS) - -LIBS = -L/opt/cuda/lib64 -lcudart -lcuda \ - -lcublas -lcufft -lrt -lnvrtc \ - -lxsmmf -lxsmm \ - -lelpa_openmp -lcosma -lscalapack -lblas -llapack \ - -lfftw3 -lfftw3_threads \ - /usr/lib/libint2.a \ - -lxcf03 -lxc \ - -lsymspg \ - -l$(_plumed) \ - -lstdc++ -lpthread -lm -ldl -lz +CC = gcc +CXX = g++ +CPP = +FC = mpifort +LD = mpifort + +NVCC = nvcc +GPUVER = $(_gpuver) + +AR = ar -r + +DFLAGS = -D__FFTW3 \ + -D__LIBINT \ + -D__parallel -D__ELPA -D__COSMA -D__SCALAPACK \ + -D__LIBXSMM \ + -D__LIBXC \ + -D__SPGLIB \ + -D__DBCSR_ACC -D__PW_CUDA -D__GRID_CUDA \ + -D__PLUMED2 + +INCS = -I/usr/include \ + -I/usr/include/elpa_openmp-$(_elpaver)/elpa \ + -I/usr/include/elpa_openmp-$(_elpaver)/modules \ + -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 \ + -fallow-argument-mismatch +NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ + -gencode arch=compute_35,code=sm_35 \ + -gencode arch=compute_37,code=sm_37 \ + -gencode arch=compute_50,code=sm_50 \ + -gencode arch=compute_52,code=sm_52 \ + -gencode arch=compute_60,code=sm_60 \ + -gencode arch=compute_61,code=sm_61 \ + -gencode arch=compute_70,code=sm_70 \ + -gencode arch=compute_75,code=sm_75 \ + -gencode arch=compute_80,code=sm_80 \ + -gencode arch=compute_86,code=sm_86 \ + -Wno-deprecated-gpu-targets +LDFLAGS = $(FCFLAGS) + +LIBS = -L/opt/cuda/lib64 -lcudart -lcuda \ + -lcublas -lcufft -lrt -lnvrtc \ + -lxsmmf -lxsmm -lelpa_openmp \ + -lcosma_prefixed_pxgemm -lcosma -lcosta -lTiled-MM \ + -lscalapack -lblas -llapack \ + -lfftw3 -lfftw3_threads \ + /usr/lib/libint2.a \ + -lxcf03 -lxc \ + -lsymspg \ + -l$(_plumed) \ + -lstdc++ -lpthread -lm -ldl -lz include /usr/lib/$(_plumed)/src/lib/Plumed.inc |