Re: NAMD crashed with TclForce turned on

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Aug 06 2008 - 17:20:55 CDT

On Wed, 6 Aug 2008, Chi-Cheng Chiu wrote:

CCC> Hi All,
CCC> We compile charm++(version 6.0) and namd on a cluster with AMD Opteron
CCC> 280 and Myrinet MX connection using MPI and PGI compiler. We can launch

why PGI? g++/gcc is usually significantly faster _and_ much more reliable.

CCC> NAMD with mpirun normally. Yet if we turn on TclForce, NAMD crashed
CCC> with the following error info while loading the atom's coordinate:
CCC>
CCC> /net/ss/cm/u1/son051000/N/Linux-amd64-MPI/namd2:signal 11
CCC> MX:s47.utdallas.edu:Remote endpoint is closed, peer=00:60:dd:47:ec:a9
CCC> (s75.utdal
CCC> las.edu:0)

CCC> We are not sure which part of NAMD went wrong. Does anyone have an idea
CCC> about this?

most likely the tcl interpreter? without seeing what was leading up
to the segfault (=signal 11) it is difficult to tell.

please also see the discussion on the very same subject of compiling
and running with tcl from the last few days in the list archives.

cheers,
   axel.

CCC>
CCC> Thanks
CCC>
CCC> Chi-cheng
CCC>

-- 
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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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