Re: NAMD crashed with TclForce turned on

From: Vlad Cojocaru (
Date: Thu Aug 07 2008 - 03:05:30 CDT

Dear Chi Cheng,

What tcl libs did you use for linking NAMD ? During last couple of days
I had a discussion about the same issue with Axel (and again not Alex as
I kept on writing :-[ ... sorry Axel again, when I'll have the pleasure
to meet you I'll invite you for a drink because I keep on changing your
name) and you may find in that thread what might be wrong with your
compilation .. But if you say that standard simulations run fine and the
error comes only with tclforces its likely that the tcl libs you used
for linking are not compatible with NAMD ...

If you have further questions after you read through our discussion in
the archives, I'll be happy to help ...

Best wishes

Chi-Cheng Chiu wrote:
> Hi All,
> We compile charm++(version 6.0) and namd on a cluster with AMD Opteron
> 280 and Myrinet MX connection using MPI and PGI compiler. We can launch
> NAMD with mpirun normally. Yet if we turn on TclForce, NAMD crashed
> with the following error info while loading the atom's coordinate:
> /net/ss/cm/u1/son051000/N/Linux-amd64-MPI/namd2:signal 11
> endpoint is closed, peer=00:60:dd:47:ec:a9
> (s75.utdal
> We are not sure which part of NAMD went wrong. Does anyone have an idea
> about this?
> Thanks
> Chi-cheng

Dr. Vlad Cojocaru
EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg
Tel: ++49-6221-533266
Fax: ++49-6221-533298
EML Research gGmbH
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Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter

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