Difference between revisions of "Ccg-chemistry-faq/Out-of-Memory Error"
| Line 3: | Line 3: | ||
''Out-of-memory error in routine ShPair-CalcS2-2 (IEnd=7653401 MxCore=3112170)'' | ''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 | + | ''Use %mem=11MW to provide the minimum amount of memory required to complete this step.'' |
| − | complete this step.'' | ||
| − | ''Error termination via Lnk1e in /cluster/bobsced/g03/l302.exe at | + | ''Error termination via Lnk1e in /cluster/bobsced/g03/l302.exe at (time).'' |
| − | |||
Latest revision as of 19:50, 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 (time).
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.
