# CPU type ## ALIGNMENT CPU_TYPE=-axSSSE3,SSE4.2,AVX,CORE-AVX2 # [ CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] #CPU_TYPE="-axCORE-AVX2,SSE4.2,SSE2" # [ CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] #CPU_TYPE="-xAVX" # [ CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] #CPU_TYPE="-xCORE-AVX2" # [ CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] #CPU_TYPE="-xSSE4.2" # [ CORE-AVX2 | CORE-AVX-I | AVX | SSE4.2 ] # 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