mirror of https://gitlab.com/scemama/qmcchem.git
26 lines
697 B
Plaintext
26 lines
697 B
Plaintext
|
# 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
|
||
|
|
|