--- make.inc.orig 2017-07-31 11:14:42.000000000 +0200 +++ make.inc 2019-08-12 12:22:26.599183838 +0200 @@ -2,7 +2,7 @@ # Here the common makefile starts which does depend on the OS #### ############################################################################### # -# FC: compiler name and common options e.g. f77 -c +# FC: compiler name and common options e.g. f77 -c # LINK: linker name and common options e.g. g77 -shared # FFLAGS: optimization e.g. -O3 # OP0: force nooptimisation for some routiens e.g. -O0 @@ -10,45 +10,48 @@ # LIB: library names e.g. -L/usr/lib -latlas -lblas -llapack # (lapack and blas libraries are needed) # BUILD_TYPE: string "debug" switches on debugging options -# (NOTE: you may call, e.g. "make scf BUILD_TYPE=debug" +# (NOTE: you may call, e.g. "make scf BUILD_TYPE=debug" # to produce executable with debugging flags from command line) -# BIN: directory for executables +# BIN: directory for executables # INCLUDE: directory for include files -# (NOTE: directory with mpi include files has to be properly set +# (NOTE: directory with mpi include files has to be properly set # even for sequential executable) ############################################################################### -BUILD_TYPE ?= -BUILD_TYPE := debug +BUILD_TYPE ?= +#BUILD_TYPE := debug -VERSION = 7.7.0 +VERSION = 7.7.2 ifeq ($(BUILD_TYPE), debug) VERSION := $(VERSION)$(BUILD_TYPE) endif #BIN = . - BIN=~/bin + BIN=bin #BIN=/tmp/$(USER) -LIB = $(LIB_MKL) +LIB = $(LIB_MKL) -LIBMPI = +LIBMPI = -# Include mpif.h -INCLUDE = -I/usr/lib/openmpi/include +# Include mpif.h +#INCLUDE = -I/apps/all/impi/2017.4.239-iccifort-2017.7.259-GCC-6.3.0-2.27/intel64/include -OP0 = +OP0 = ifeq ($(BUILD_TYPE), debug) FFLAGS = -O0 -check all -traceback -fpe0 -g -fp-stack-check -ftrapuv -CU else - FFLAGS = -O2 -axSSE4.2 -diag-disable remark + FFLAGS = -O2 -xHost -diag-disable remark endif +BLAS=-L$(EBROOTIMKL)/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread -liomp5 -FC = mpif90.openmpi -c -w $(FFLAGS) $(INCLUDE) -LINK = mpif90.openmpi $(FFLAGS) $(INCLUDE) +LAPACK=-L$(EBROOTIMKL)/mkl/lib/intel64 -lmkl_lapack + +FC = mpiifort -c -w $(FFLAGS) $(INCLUDE) +LINK = mpiifort $(FFLAGS) $(INCLUDE) $(BLAS) $(LAPACK) MPI=MPI