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Linux-x86-64-intel-minimal.psmp
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Linux-x86-64-intel-minimal.psmp
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# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 17.0.4.196 Build 20170411
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.3.222 Build 20180410
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.5.274 Build 20180823
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.1.217 Build 20200306
# Intel MPI, MKL
# Author: Matthias Krack ([email protected], PSI, May 2020)
CC = mpiicc
FC = mpiifort
LD = mpiifort
AR = ar -r
CFLAGS = -O2 -g -traceback -xHost
DFLAGS = -D__FFTW3 -D__MKL -D__MPI_VERSION=3
DFLAGS += -D__parallel -D__SCALAPACK
FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fopenmp -fpp -free -funroll-loops
FCFLAGS += -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main
MKL_LIB = $(MKLROOT)/lib/intel64
LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -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)) $<