# CPU type ## ALIGNMENT #CPU_TYPE="-xCORE-AVX2" # [ Host | CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] CPU_TYPE="-xHost" # Array alignment (Bytes) ALIGN="32" ## FORTRAN compiler FC="ifort" NINJA="ninja" FCFLAGS="-O2 -g -ip -ftz -finline ${CPU_TYPE}" #-traceback LIB="-mkl=sequential" ## IRPF90 IRPF90="${QMCCHEM_PATH}/bin/irpf90" IRPF90_FLAGS="--align=${ALIGN} ${IRPF90_FLAGS}" export FC NINJA FCFLAGS LIB IRPF90 IRPF90_FLAGS