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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