Firefly and PC GAMESS-related discussion club

 
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Alex Granovsky
gran@classic.chem.msu.su

with current versions of Firefly you need to use absolute paths.
There is a fix for this in current beta version of FF 8.0.0

You may find the list of command line options here:

http://classic.chem.msu.su/gran/gamess/comm_line.html

Best regards,
Alex


On Sat Nov 12 '11 10:55am, Peter Jarowski wrote
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>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