I used following command to use ASE-DMOL3:
export DMOL_COMMAND="/home/reza/BIOVIA/MaterialsStudio23.1/etc/DMol3/bin/RunDMol3.sh -np 20 struct"
where struct is my basename. However, it runs only on one CPU.
I also tested the new method of config.ini for it, but I got an error.
Any help?