jiujitsu
jiujitsu
submits sets of computational chemistry calculations in batch.
It currently supports a couple software in two different supercomputers I use.
$ jiujitsu -n 16 orca41 one.inp two.inp
$ jiujitsu -n 2 nwchem *.nw
$ jiujitsu -h
Installation
After downloading the tarball and using cd
to go where the files are, simply do a sudo make install
and everything will be installed.
Or you may install it anywhere and use jiujitsu
with full path:
$ ~/bin/jiujitsu/jiujitsu -n 24 orca41 *inp