diff options
Diffstat (limited to 'cuda_plumed.psmp')
| -rw-r--r-- | cuda_plumed.psmp | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/cuda_plumed.psmp b/cuda_plumed.psmp index 2f53e759ed92..0f5f50c89d62 100644 --- a/cuda_plumed.psmp +++ b/cuda_plumed.psmp @@ -16,6 +16,7 @@ DFLAGS = -D__FFTW3 \ -D__LIBXSMM \ -D__LIBXC \ -D__SPGLIB \ + -D__SIRIUS \ -D__ACC -D__DBCSR_ACC -D__PW_CUDA \ -D__PLUMED2 @@ -31,8 +32,7 @@ CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 CPPFLAGS = FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) \ -ffree-form -ffree-line-length-none \ - -fallow-argument-mismatch \ - -fno-tree-loop-vectorize + -fallow-argument-mismatch NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ -gencode arch=compute_35,code=sm_35 \ -gencode arch=compute_37,code=sm_37 \ @@ -43,14 +43,14 @@ NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ -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 - + -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 -lscalapack -lblas -llapack \ + -lelpa_openmp -lcosma -lscalapack -lblas -llapack \ -lfftw3 -lfftw3_threads \ /usr/lib/libint2.a \ -lxcf03 -lxc \ |