WebMO - Computational chemistry on the WWW
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August 23, 2019

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WebMO Support Forum » Running WebMO Jobs » Other » Slow calculation « Previous Next »

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Mark Iannone
Unregistered guest
Posted on Monday, December 24, 2007 - 10:34 am:   

Occasionally a GAMESS job will run slowly. The elapsed time counter in the job manager adds 1 s for about 20 s of real time. The server is not doing anything else. Do you have any suggestions about this?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 32
Registered: 11-2006
Posted on Wednesday, December 26, 2007 - 4:01 pm:   

Can you verify that the server is truly not doing anything else? In other words, perhaps another non-WebMO related process might be running on the server, and using a significant amount of memory/resources.

If you notice the problem, try logging onto the server on the command line, and using the 'top' command to see what is actually going on. I would be interested to see the results.
Mark Iannone
Unregistered guest
Posted on Friday, February 11, 2011 - 1:05 pm:   

I just saw this topic and realized I never replied. We did figure this out, and maybe it will be useful to someone. The problem was that with large molecule and/or large basis set, the computer did ran out of memory and was spending all its time reading and writing to disk.

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