qmcchem/make.config.gfortran

# CPU type

## ALIGNMENT

CPU_TYPE="-mavx" 

## FORTRAN compiler
FC="gfortran -ffree-line-length-none"
FCFLAGS="-O2 -g ${CPU_TYPE}"
LIB="-lblas -llapack -lpthread -lqmckl"

## IRPF90
IRPF90="${QMCCHEM_PATH}/bin/irpf90"
IRPF90_FLAGS="--align=16"

export FC FCFLAGS LIB IRPF90 IRPF90_FLAGS
Works with gfortran. Fixed ezfio.ml compiling problem. 2015-12-29 00:48:17 +01:00			`# CPU type`

			`## ALIGNMENT`

			`CPU_TYPE="-mavx"`

			`## FORTRAN compiler`
			`FC="gfortran -ffree-line-length-none"`
			`FCFLAGS="-O2 -g ${CPU_TYPE}"`
First attempt at replacing SM-calls to QMCKL/SMW calls. - Doing QMCkl/SM_slagels splitting of a single SM update works. TODO: - Make it more efficient in terms of array handling - Restructure calling routing above so all updates can be sent to QMCKL/SMW in one go. 2021-10-11 15:38:12 +02:00			`LIB="-lblas -llapack -lpthread -lqmckl"`
Works with gfortran. Fixed ezfio.ml compiling problem. 2015-12-29 00:48:17 +01:00
			`## IRPF90`
			`IRPF90="${QMCCHEM_PATH}/bin/irpf90"`
			`IRPF90_FLAGS="--align=16"`

Compiling 2019-09-30 20:09:54 +02:00			`export FC FCFLAGS LIB IRPF90 IRPF90_FLAGS`
Works with gfortran. Fixed ezfio.ml compiling problem. 2015-12-29 00:48:17 +01:00