[AMBER] mm_pbsa.pl in PARALLEL - part 3

From: Anselm Horn <Anselm.Horn.biochem.uni-erlangen.de>
Date: Wed, 21 Jul 2010 12:33:00 +0200

Dear all,

when I try to run some MM-GBSA calculations for a large number of
snapshots (> 10,000) in parallel (with the number of processes less than
the number of available cores on the machine, just to be sure), the
mm_pbsa.pl script exits with the following error:

Finished process 256 with PID 9546 has wrong exit code 0
For details see: http://ambermd.org/Questions/mm_pbsa.html#ana_finished_proc

This program error happens in different runs at a similar snapshot
number (around 256). Has anyone else experienced such behaviour?
Is there a solution, or a known limitation of the script?



Friedrich-Alexander-Universität Erlangen-Nürnberg

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Received on Wed Jul 21 2010 - 04:00:03 PDT
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