Simulations with large number of constraints crash at startup phase 1 on Indiana's Bigred

From: Philip Blood (
Date: Thu Jan 25 2007 - 13:42:20 CST


On Bigred (PowerPC 970MP), using the default executable loaded in
softenv with the key @namd-ibm-64, I am able to run simulations with no
constraints, or a modest number of constraints (~8000), but when I try
to run with a large number of constraints (more than 200,000) it exits
at startup phase 1. There is no error message from NAMD and the
Loadleveler output only says:
Killed by signal 15. There is a known issue on Bigred where jobs die
with this message:, but in my
case I only see the problem when I am using a large number of
constraints. This is always reproducible: if I turn off constraints it
runs fine, if I try to run with a lot of constraints it crashes. The
NAMD output and my configuration file can be found here:

Has anyone else had any issues running on Bigred (I don't suppose too
many people have tried yet)? Does anyone else have any insight?


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:19 CST