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I always use GAMESS and Avogadro on my own laptop. Recently I installed them on our university supercomputer and started using them by remote logging-in.

On the laptop everything was super easy but unfortunately I can not find any documentation for using them from Terminal Command Line ( I mean sending a job and receiving the result all from Terminal Command Line ).

It would be great if someone knows a good documentation or tutorial for this subject.

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  • $\begingroup$ Your using Linux terminal? $\endgroup$
    – Mithoron
    Commented Feb 22, 2015 at 20:25
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    $\begingroup$ Avogadro isn't a command line program. The best option is to run it on your laptop and transfer files as needed to the facility, by SSH / SCP for example. $\endgroup$
    – Geoff Hutchison
    Commented Feb 22, 2015 at 21:12
  • $\begingroup$ @Mithoron I use Mac terminal on my laptop endpoint but the other side ( the supercomputer ) is using Linux ( intel ) with these modules : slurm, intel. Ifort. IMIP $\endgroup$
    – Aug
    Commented Feb 22, 2015 at 21:14

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Contact the HPC helpdesk at your university or search for some instructions compiled by them.

We cannot know whether your local cluster uses PBS (TORQUE/MAUI), SLURM or anything else to reserve cores, nodes, memory and cpu time to run jobs.

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    $\begingroup$ Yes you were right. I called them and received the needed information . Thanks ! $\endgroup$
    – Aug
    Commented Feb 23, 2015 at 3:46

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