Difference between revisions of "Ccg-chemistry-faq/Out-of-Memory Error"
| Line 1: | Line 1: | ||
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: | 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 | + | ''Out-of-memory error in routine ShPair-CalcS2-2 (IEnd= 7653401 |
MxCore= 3112170) | MxCore= 3112170) | ||
| Line 8: | Line 8: | ||
Error termination via Lnk1e in /cluster/bobsced/g03/l302.exe at Tue | Error termination via Lnk1e in /cluster/bobsced/g03/l302.exe at Tue | ||
| − | Apr 10 09:34:19 2007. | + | Apr 10 09:34:19 2007.'' |
Revision as of 19:49, 10 April 2007
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.
