# # module load openmpi cuda blas lapack # # CC = gcc CPP = FC = mpif90 LD = mpif90 AR = ar -r CPPFLAGS = DFLAGS = -D__FFTW3 \ -D__LIBINT \ -D__LIBXC \ -D__parallel \ -D__SCALAPACK SCALAPACK_LIB = /davide/home/userexternal/$USER/scalapack/scalapack LIBINT_HOME = /davide/home/userexternal/$USER/cp2k/libs/libint/1.1.4 LIBXC_HOME = /davide/home/userexternal/$USER/cp2k/libs/libxc/4.1.1 FFTW_HOME = /davide/home/userexternal/$USER/fftw/3.3.8 FFTW_INC = $(FFTW_HOME)/include FFTW_LIB = $(FFTW_HOME)/lib FCFLAGS = $(DFLAGS) -O3 -ffast-math -ffree-form -funroll-loops -mcpu=power8\ -I$(FFTW_INC) -I$(LIBINT_HOME)/include -I$(LIBXC_HOME)/include LDFLAGS = $(FCFLAGS) #-Wl,--start-group #-static #LIBS = -L$(SCALAPACK_LIB) -lscalapack\ # -L$(LAPACK_LIB) -llapack\ # -L$(BLAS_LIB) -lblas\ # -L$(FFTW_LIB) -lfftw3\ # -L$(FFTW_LIB) -lfftw3_threads\ # -L$(LIBINT_HOME)/lib -lderiv\ # -L$(LIBINT_HOME)/lib -lint\ # -L$(LIBINT_HOME)/lib -lr12\ # -L$(LIBXC_HOME)/lib -lxcf03\ # -L$(LIBXC_HOME)/lib -lxc LIBS = $(SCALAPACK_LIB)/libscalapack.a\ $(LAPACK_LIB)/liblapack.a\ $(BLAS_LIB)/libblas.a\ $(FFTW_LIB)/libfftw3.a\ $(FFTW_LIB)/libfftw3_threads.a\ $(LIBINT_HOME)/lib/libderiv.a\ $(LIBINT_HOME)/lib/libint.a\ $(LIBINT_HOME)/lib/libr12.a\ $(LIBXC_HOME)/lib/libxcf03.a\ $(LIBXC_HOME)/lib/libxc.a\ -ldl\ # -Wl,--end-group