# # 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) $<