marathon allows you to run sets of computational chemistry calculations in batch mode.
marathon -n 8 orca first.inp second.inp marathon -n 4 nwchem *.nw marathon -h
After downloading the tarball (or cloning the repository) and using
cd to go where the files are, simply do a
sudo make install and everything will be installed.
marathon will need to know where ORCA is in your system.
So set an environment variable in your
~/.bashrc (or equivalent) as follows:
This should point to the absolute path to the ORCA binary parent directory.
ORCA may thus not be in
Other programs follow the same pattern.