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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,31 @@ | ||
| # Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 17.0.4.196 Build 20170411 | ||
| # Intel MPI, MKL | ||
| # Author: Matthias Krack (matthias.krack@psi.ch, PSI, October 2018) | ||
|
|
||
| CC = mpicc | ||
| CPP = | ||
| FC = mpiifort | ||
| LD = mpiifort | ||
| AR = ar -r | ||
| CPPFLAGS = | ||
| DFLAGS = -D__F2008 -D__FFTW3 -D__MKL -D__MPI_VERSION=3 \ | ||
| -D__parallel -D__SCALAPACK | ||
| CFLAGS = $(DFLAGS) -O2 | ||
| FCFLAGS = $(DFLAGS) -O2 -fpp -free -funroll-loops | ||
| FCFLAGS += -fp-model precise | ||
| FCFLAGS += -g -traceback | ||
| FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw | ||
| LDFLAGS = $(FCFLAGS) -static-intel -static_mpi | ||
| LDFLAGS_C = $(FCFLAGS) -static-intel -nofor_main | ||
| MKL_LIB = ${MKLROOT}/lib/intel64 | ||
| LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a \ | ||
| -Wl,--start-group \ | ||
| $(MKL_LIB)/libmkl_intel_lp64.a \ | ||
| ${MKL_LIB}/libmkl_sequential.a \ | ||
| $(MKL_LIB)/libmkl_core.a \ | ||
| ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a \ | ||
| -Wl,--end-group | ||
|
|
||
| # Required due to memory leak that occurs if high optimisations are used | ||
| mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F | ||
| $(FC) -c $(subst O2,O0,$(FCFLAGS)) $< |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,32 @@ | ||
| # Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 17.0.4.196 Build 20170411 | ||
| # Intel MPI, MKL | ||
| # Author: Matthias Krack (matthias.krack@psi.ch, PSI, October 2018) | ||
|
|
||
| CC = mpicc | ||
| CPP = | ||
| FC = mpiifort | ||
| LD = mpiifort | ||
| AR = ar -r | ||
| CPPFLAGS = | ||
| DFLAGS = -D__F2008 -D__FFTW3 -D__MKL -D__MPI_VERSION=3 \ | ||
| -D__parallel -D__SCALAPACK | ||
| CFLAGS = $(DFLAGS) -O2 | ||
| FCFLAGS = $(DFLAGS) -O2 -fpp -free -funroll-loops | ||
| FCFLAGS += -fopenmp | ||
| FCFLAGS += -fp-model precise | ||
| FCFLAGS += -g -traceback | ||
| FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw | ||
| LDFLAGS = $(FCFLAGS) -static-intel -static_mpi | ||
| LDFLAGS_C = $(FCFLAGS) -static-intel -nofor_main | ||
| MKL_LIB = ${MKLROOT}/lib/intel64 | ||
| LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a \ | ||
| -Wl,--start-group \ | ||
| $(MKL_LIB)/libmkl_intel_lp64.a \ | ||
| ${MKL_LIB}/libmkl_sequential.a \ | ||
| $(MKL_LIB)/libmkl_core.a \ | ||
| ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a \ | ||
| -Wl,--end-group | ||
|
|
||
| # Required due to memory leak that occurs if high optimisations are used | ||
| mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F | ||
| $(FC) -c $(subst O2,O0,$(FCFLAGS)) $< |