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# Author: Alfio Lazzaro (alfio.lazzaro@chem.uzh.ch), UZH, 2018
# Note: add optimization flags specific for your system (e.g. -xHost).
LIBXSMM = /home/users/p02464/libxsmm/1.8.3_skl_intel
LIBXC = /home/users/p02464/libs/libxc/intel/4.0.3
LIBINT = /home/users/p02464/libs/libint/intel/1.1.6
CC = icc
CPP =
FC = ifort
LD = ifort
AR = ar -r
CPPFLAGS =
DFLAGS = -D__MKL -D__FFTW3 -D__HAS_NO_SHARED_GLIBC -D__LIBXSMM \
-D__LIBXC \
-D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 \
-D__MAX_CONTR=4
CFLAGS = $(DFLAGS) -O2
FCFLAGS = $(DFLAGS) -O2 -fopenmp -funroll-loops -fpp -free
FCFLAGS += -fp-model precise
FCFLAGS += -g -traceback
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(LIBXSMM)/include
FCFLAGS += -I$(LIBXC)/include
LDFLAGS = $(FCFLAGS) -static-intel
LDFLAGS_C = $(FCFLAGS) -static-intel -nofor_main
MKL_LIB = ${MKLROOT}/lib/intel64
LIBS = -Wl,--start-group \
$(MKL_LIB)/libmkl_intel_lp64.a ${MKL_LIB}/libmkl_sequential.a \
$(MKL_LIB)/libmkl_core.a -Wl,--end-group -lpthread -lm
LIBS += -L$(LIBXSMM)/lib -lxsmmf -lxsmm -ldl
LIBS += -L$(LIBXC)/lib -lxcf03 -lxc
LIBS += -L$(LIBINT)/lib -lderiv -lint -lstdc++
# 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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