Article ID: 590 - Last Modified: May 13, 2011
I've been running some Glide XP jobs and they crash with the same error.
%IMPACT-E (die): At line 69
%IMPACT-E: Insufficient storage for pointers. Pointer set at 1501
What is going on?
This error often indicates a memory leak in the program. It's a memory leak that accumulates over the course of the job, and so terminates the job rather unpredictably. It seems to happen only when docking lots of small molecules, especially those with zero rotatable bonds or when using the "Use expanded sampling" option.
This leak was identified and fixed for the Suite 2010 release of Glide, version 5.6, so the best solution is to update your software.
Otherwise, you could try running Glide XP with many more subjobs, so the individual subjobs are never long enough to run out of pointers. Perhaps setting the number of subjobs such that there are no more than 500 or 1000 ligands per subjob would be sufficient to avoid the problem.
Alternatively, you could strip out the smallest molecules (e.g., with Tools → Ligand Filtering) and dock the bigger and smaller molecules in separate jobs, with fewer structures per subjob in the latter.
Keywords: memory leak, Insufficient storage for pointers,Ligand Filtering
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