Running MOLGW

MOLGW runs with

/path/to/molgw molgw.in > molgw.out 

With MPI, use

mpirun /path/to/molgw molgw.in > molgw.out 

With OPENMP, one may need to set up a few environment variables:

export OMP_NUM_THREADS=4
export OMP_STACKSIZE=512M

When OMP_STACKSIZE is too small, segmentation faults occur.

The input files are explained here.

The list of all the input variables can be obtained here.