Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

please contact me privately and specify CPUs/MPIs and operating systems for which you need current beta.

Regards,
Alex Granovsky


On Sun Nov 20 '11 11:24am, Peter Jarowski wrote
-----------------------------------------------
>Hello:

>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.htmlhttp://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