PC GAMESS/Firefly-related discussion club

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Alex Granovsky
gran@classic.chem.msu.su

I've attached sample batch file to be run from within the CCS frontend.

regards,
Alex Granovsky


On Sat Nov 21 '09 12:26pm, Alex Granovsky wrote
-----------------------------------------------
>Hi,

>actually from within HPC Cluster manager, you still need to start
>mpiexec with proper parameters, rather than Firefly itself.
>You need to pass the file with the list of allocated nodes
>(or just take them from the corresponding environment variable)
>to the mpiexec and direct it to run Firefly on these nodes.

>Hope this helps,
>Alex Granovsky

>On Fri Nov 20 '09 3:52pm, Thomas wrote
>--------------------------------------
>>Hi,

>>We are tying to start PCGAMESS on a Windows HPC Cluster 2008. It consists of 3 nodes with a total of 10 cores (Intel Core 2). PCGAMESS works well at each node as well at the master node, if we start it in the cmd command prompt (e.g. 'pcgamess –o testout.out').

>>It does not work, if we try to start the program in the HPC Cluster Manager (also command line e.g. 'pcgamess –o testout.out'). We use as descript the MPIBIND.MSMPI.dll as mpibind.dll. We always get a failled process with an error code 0 in the HPC Manager Software.

>>Does anyone have experience in using PCGAMMESS in Windows HPC Clusters or any helpful remarks?

>>Thanks and regards,

>>Thomas
>>

This message contains the 1 kb attachment [ ccs_sample.zip ] CCS sample batch file