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| author | a.kudelin | 2020-02-08 19:51:01 +0300 |
|---|---|---|
| committer | a.kudelin | 2020-02-08 19:51:01 +0300 |
| commit | 3ead38d5073c2a6875c6d670a32e1fc6a8b6b940 (patch) | |
| tree | 19d13f018edcabfbd2b929f18b03aeb2e5a8c623 /plumed.psmp | |
| parent | e78d476dcf2a90448bae410091c34360f783ed7f (diff) | |
| download | aur-3ead38d5073c2a6875c6d670a32e1fc6a8b6b940.tar.gz | |
Updated to the current major release 7.1.0, added ELPA support
Diffstat (limited to 'plumed.psmp')
| -rw-r--r-- | plumed.psmp | 39 |
1 files changed, 21 insertions, 18 deletions
diff --git a/plumed.psmp b/plumed.psmp index 37cd0ae3f62b..230f30f1bf32 100644 --- a/plumed.psmp +++ b/plumed.psmp @@ -6,33 +6,36 @@ LD = mpifort # 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__LIBXSMM \ - -D__LIBXC \ - -D__SPGLIB \ +DFLAGS = -D__FFTW3 \ + -D__LIBINT \ + -D__parallel -D__SCALAPACK \ + -D__ELPA \ + -D__LIBXSMM \ + -D__LIBXC \ + -D__SPGLIB \ -D__PLUMED2 # -INCS = -I/usr/include +INCS = -I/usr/include \ + -I/usr/include/elpa_openmp-$(_elpaver)/elpa \ + -I/usr/include/elpa_openmp-$(_elpaver)/modules # -OPTFLAGS = -O3 -march=native -fopenmp +OPTFLAGS = -O3 -march=native -fopenmp -ftree-vectorize # CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 CPPFLAGS = -FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -ffree-form -ffree-line-length-none +FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) \ + -ffree-form -ffree-line-length-none # LDFLAGS = $(FCFLAGS) # -LIBS = -lxsmmf -lxsmm \ - -lscalapack -lblas -llapack \ - -lfftw3 -lfftw3_threads \ - /usr/lib/libderiv.a \ - /usr/lib/libint.a \ - -lxcf03 -lxc \ - -lsymspg \ - -lplumed \ +LIBS = -lxsmmf -lxsmm \ + -lelpa_openmp -lscalapack -lblas -llapack \ + -lfftw3 -lfftw3_threads \ + /usr/lib/libint2.a \ + -lxcf03 -lxc \ + -lsymspg \ + -l$(_plumed) \ -lstdc++ -lpthread -lm -ldl -lz # -include /usr/lib/plumed/src/lib/Plumed.inc +include /usr/lib/$(_plumed)/src/lib/Plumed.inc |