big systems using namd on 700 cpus

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Mon Dec 29 2003 - 13:47:04 CST

hello:

I have been trying without success to send a 3 million atom job to ~700
cpus for minimization and MD. I have been successful on smaller numbers
of nodes but for obvious reasons would like to use the resources I have
available.

No error is given, just a core dumb and the log ends with
Info: Entering startup phase 0 with 532484 kB of memory in use.
Info: Entering startup phase 1 with 532484 kB of memory in use.
Info: Entering startup phase 2 with 749826 kB of memory in use.
Info: Entering startup phase 3 with 776958 kB of memory in use.
Info: PATCH GRID IS 24 (PERIODIC) BY 24 (PERIODIC) BY 24 (PERIODIC)
Info: REMOVING COM VELOCITY -0.000371721 0.00010952 -0.000343896
Info: LARGEST PATCH (4355) HAS 303 ATOMS

on ~40 processors the minimization starts after phase 8 with no problems
other than being slow.

Are there things that I am missing?

Brian

-- 
*****************************************************************
**Brian Bennion, Ph.D.                                         **
**Computational and Systems Biology Division                   **
**Biology and Biotechnology Research Program                   **
**Lawrence Livermore National Laboratory                       **
**P.O. Box 808, L-448    bennion1_at_llnl.gov                     **
**7000 East Avenue       phone: (925) 422-5722                 **
**Livermore, CA  94550   fax:   (925) 424-6605                 **
*****************************************************************

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:16 CST