Ccg-chemistry-faq/Out-of-Memory Error

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If after loading a large molecule into WebMO your job quits unexpectedly, you may receive this error message at the bottom of your raw output file:

Out-of-memory error in routine ShPair-CalcS2-2 (IEnd=7653401 MxCore=3112170)

Use %mem=11MW to provide the minimum amount of memory required to complete this step.

Error termination via Lnk1e in /cluster/bobsced/g03/l302.exe at Tue Apr 10 09:34:19 2007.


To resolve: After importing or drawing your molecule, and setting all other options within WebMO to your liking, select the "Preview" tab and press the "generate" button if needed. Then, directly under %NProcShared, insert the following line:

%mem=20MW


This resolves the problem with all molecules tested. If your molecule still returns an error, consider increasing to 25MW.

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