NAMD 1.7b1 quits writing files/hangs

From: Jason Russler (jrussler_at_helix.nih.gov)
Date: Wed Apr 15 2009 - 08:00:49 CDT

I've had several users report hangs in NAMD runs since our upgrade to
2.7b1. Runs typically last for several hours and at some point quit
writing to log and output files. The namd2 processes stay busy as if
they're doing something but I haven't been able to figure out what - I
can't tell if it's hung or if I/O to files is all that stopped. Users
kill the runs when they hang and can't replicate it in a timely manner.

This is our own build for Infiniband using OpenMPI 1.3, built with Intel
11 on Voltaire's distributed OFED 1.3.1. Any insights from anyone here
would be greatly appreciated. Thanks,

-Jason

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