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Alex Granovsky
gran@classic.chem.msu.su

I have attached simple SLURM script.

As to PBS, there are some already on the forum, e.g.:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea936bHW-7724-1007+00.htm

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35bca8058eOC-7038-628+00.htm

Some more scripts can be found on this forum using Search widget.

Hope this helps.

Kind regards,
Alex





On Sat Nov 12 '11 10:55am, Peter Jarowski wrote
-----------------------------------------------
>Yes please, the PBS script would do.

>Also, I cant seem to run firefly outside of its directory where the executable is. Do you have path lists and ENVs to suggests to fix this.
>
>
>Best Regards,
>
>
>Peter
>
>
>On Sat Nov 12 '11 10:36am, Alex Granovsky wrote
>-----------------------------------------------
>>Hi Peter,

>>To avoid PUNCH file conflicts, use -p -stdext command line options.

>>If you need sample scripts for PBS or SLURM, I can attach some to this thread.

>>Regards,
>>Alex Granovsky

>>On Sat Nov 12 '11 0:04am, Peter Jarowski wrote
>>----------------------------------------------
>>>Dear Users:

>>>Anyone have a working queuing script for Firefly running on linux with parallelization. For instance for qsub of some equivalent. Right now I have the problem that the PUNCH file can not be shared between different simultaneous runs. Any work around for that?

>>>Thanks,

>>>Peter

This message contains the 1 kb attachment [ slurm.sh ] sample SLURM script to run Firefly