Firefly and PC GAMESS-related discussion club

 
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Peter Jarowski
p.d.jarowski@surrey.ac.uk

Can I beta test the new version. I can have it installed on a 100 node cluster as well as a 8-core linux machine. If you could give me access that would be great.

Best,

Peter


On Tue Nov 15 '11 2:15pm, Alex Granovsky wrote
----------------------------------------------
>Dear Peter,

>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.htmlhttp://classic.chem.msu.su/gran/gamess/comm_line.html

>Best 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