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authorAnton Kudelin2021-07-17 00:27:09 +0300
committerAnton Kudelin2021-07-17 00:27:09 +0300
commit4d59a2b6e2fcd2369583cf6ad67e87a1729611ba (patch)
tree368b2fb66021ec233a2fbfe5253f5adf6047b85a /cuda_plumed.psmp
parent64d9e19715165c41cf5bb97f3b8fdaf1fdd4eae5 (diff)
downloadaur-cp2k.tar.gz
updpkg: 8.2.0
Diffstat (limited to 'cuda_plumed.psmp')
-rw-r--r--cuda_plumed.psmp117
1 files changed, 58 insertions, 59 deletions
diff --git a/cuda_plumed.psmp b/cuda_plumed.psmp
index d36c7c47186..2f4e9efb511 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