--- makefile.orig 2021-09-14 23:57:59 UTC +++ makefile @@ -6,9 +6,9 @@ MKLROOT = /opt/intel/mkl ################################################################### MKLROOT = /opt/intel/mkl -CC = mpicc -O3 -xHOST -ip -no-prec-div -qopenmp -I/opt/intel/mkl/include/fftw -FC = mpif90 -O3 -xHOST -ip -no-prec-div -qopenmp -LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -liomp5 -lpthread -lm -ldl +CC = mpicc -fopenmp $(CFLAGS) +FC = mpif90 -fopenmp $(FFLAGS) +LIB= $(LDFLAGS) -lpthread -llapack -lblas -lscalapack -lgfortran -lfftw3 -lomp # @@ -103,7 +103,7 @@ LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lm # -CFLAGS = -g +#CFLAGS = -g OBJS = openmx.o openmx_common.o Input_std.o Inputtools.o init.o LU_inverse.o ReLU_inverse.o \ truncation.o readfile.o FT_PAO.o FT_NLP.o FT_ProExpn_VNA.o FT_VNA.o FT_ProductPAO.o \ @@ -216,7 +216,7 @@ all: $(PROG) $(UTIL) # all: $(PROG) $(UTIL) - cp $(PROG) $(UTIL) $(DESTDIR)/ + #install -s $(PROG) $(DESTDIR)$(PREFIX)/bin/$(PROG) openmx.o: openmx.c openmx_common.h tran_variables.h tran_prototypes.h $(CC) -c openmx.c @@ -989,9 +989,9 @@ elpa_utilities.o: $(LIBELPADIR)/elpa_utilities.F90 $(FC) -c $(LIBELPADIR)/mod_precision.F90 elpa_utilities.o: $(LIBELPADIR)/elpa_utilities.F90 $(FC) -c $(LIBELPADIR)/elpa_utilities.F90 -elpa1_compute_real.o: $(LIBELPADIR)/elpa1_compute_real.F90 +elpa1_compute_real.o: $(LIBELPADIR)/elpa1_compute_real.F90 elpa_utilities.o $(FC) -c $(LIBELPADIR)/elpa1_compute_real.F90 -elpa1_compute_complex.o: $(LIBELPADIR)/elpa1_compute_complex.F90 +elpa1_compute_complex.o: $(LIBELPADIR)/elpa1_compute_complex.F90 elpa_utilities.o mod_compute_hh_trafo_complex.o $(FC) -c $(LIBELPADIR)/elpa1_compute_complex.F90 aligned_mem.o: $(LIBELPADIR)/aligned_mem.F90 $(FC) -c $(LIBELPADIR)/aligned_mem.F90 @@ -1015,7 +1015,7 @@ mod_compute_hh_trafo_complex.o: $(LIBELPADIR)/mod_comp $(FC) -c $(LIBELPADIR)/mod_compute_hh_trafo_real.F90 mod_compute_hh_trafo_complex.o: $(LIBELPADIR)/mod_compute_hh_trafo_complex.F90 $(FC) -c $(LIBELPADIR)/mod_compute_hh_trafo_complex.F90 -elpa2_compute_real.o: $(LIBELPADIR)/elpa2_compute_real.F90 +elpa2_compute_real.o: $(LIBELPADIR)/elpa2_compute_real.F90 elpa1.o elpa_utilities.o $(FC) -c $(LIBELPADIR)/elpa2_compute_real.F90 elpa2_compute_complex.o: $(LIBELPADIR)/elpa2_compute_complex.F90 $(FC) -c $(LIBELPADIR)/elpa2_compute_complex.F90