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#
# Load Intel 17.0 compilers
#
CC = mpiicc
CPP =
FC = mpiifort
LD = mpiifort
AR = xiar -r
CPPFLAGS =
DFLAGS = -D__parallel \
-D__SCALAPACK \
-D__MKL \
-D__FFTW3 \
-D__LIBINT
LIBINTROOT = /home/$USER/cp2k/libint/1.1.4/intel/17.0
IFLAGS = -I$(MKLROOT)/include \
-I$(MKLROOT)/include/fftw \
-I$(LIBINTROOT)/include
FCFLAGS = -qopenmp -xMIC-AVX512 $(DFLAGS) $(IFLAGS) -O2 -g -traceback -fpp -free
FCFLAGS2 = -qopenmp -xMIC-AVX512 $(DFLAGS) $(IFLAGS) -O0 -g -traceback -fpp -free
CFLAGS = $(DFLAGS) $(IFLAGS)
MKL_LIBS = $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a \
-Wl,--start-group \
$(MKLROOT)/lib/intel64/libmkl_intel_lp64.a \
$(MKLROOT)/lib/intel64/libmkl_sequential.a \
$(MKLROOT)/lib/intel64/libmkl_core.a \
$(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a \
-Wl,--end-group \
-lpthread -lm
LIBINT_LIBS = -L$(LIBINTROOT)/lib -lderiv -lint -lstdc++
LIBS = $(MKL_LIBS) $(LIBINT_LIBS)
LDFLAGS_C = $(FCFLAGS) -static-intel -nofor_main
LDFLAGS = $(FCFLAGS) -static-intel
# Required due to memory leak that occurs if high optimisations are used
mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F
$(FC) -c $(FCFLAGS2) $<