RE: setting up namd simulation in IBM Blue Gene/L

From: hannes.loeffler_at_stfc.ac.uk
Date: Thu Dec 18 2014 - 01:36:36 CST

We have retired our BlueGenes L and P a while ago so I can't help you much.

What I remember is that our LoadLeveler on the L never had scripting capabilities so your final mpirun would have simply be ignored. The user was supposed to use #@arguments and possibly #@executable. There was a default for the latter. In any case, make sure that you are calling the right executable here if you have to do it explicitly (may not even be mpirun on the L)--_003_5FF52965BBB9CB46930C7E5D323EC02188D3DD83EXCHMBX01fedccl_--

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