############################################################## # # VASP 5.4.1 compile options # # Cray XC30 (ARCHER): # * Intel compilers # * MKL # * FFTW # # A. R. Turner, EPCC, 2015 # Precompiler options CPP_OPTIONS= -DMPI -DHOST=\"CrayXC-Intel\" \ -DIFC \ -DCACHE_SIZE=2000 \ -DPGF90 \ -Davoidalloc \ -DMPI_BLOCK=8000 \ -DscaLAPACK \ -Duse_collective \ -DnoAugXCmeta \ -Duse_bse_te \ -Duse_shmem \ -Dtbdyn CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = ftn FCL = ftn FREE = -free -names lowercase FFLAGS = -assume byterecl OFLAG = -O3 -ip -fno-alias -unroll-aggressive -opt-prefetch -use-intel-optimized-headers -no-prec-div OFLAG_IN = $(OFLAG) DEBUG = -O0 MKL_PATH = $(MKLROOT)/lib/intel64 BLAS = LAPACK = BLACS = SCALAPACK = OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o INCS = LLIBS = ${MKL_PATH}/libmkl_blas95_lp64.a ${MKL_PATH}/libmkl_lapack95_lp64.a \ ${MKL_PATH}/libmkl_scalapack_lp64.a \ -Wl,--start-group ${MKL_PATH}/libmkl_intel_lp64.a \ ${MKL_PATH}/libmkl_sequential.a ${MKL_PATH}/libmkl_core.a \ ${MKL_PATH}/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group OBJECTS_O1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o OBJECTS_O2 += fft3dlib.o # For what used to be vasp.5.lib CPP_LIB = $(CPP) FC_LIB = $(FC) CC_LIB = cc CFLAGS_LIB = -O FFLAGS_LIB = -O1 FREE_LIB = $(FREE) OBJECTS_LIB= linpack_double.o getshmem.o # Normally no need to change this SRCDIR = ../../src BINDIR = ../../bin