From: Vlad Cojocaru (Vlad.Cojocaru_at_h-its.org)
Date: Fri Mar 05 2010 - 03:19:16 CST
Dear namd users,
Does anybody successfully use tcl forces with NAMD compiled against tcl
8.5 ? If yes, could you please give details about the compilation
(compiler, MPI libs, charm version, flags and so on)?
I compiled NAMD with tcl 8.5 apparently successfully (no errors) but
when I try to run the forces tutorials (from NAMD site) I keep on
getting segmentation faults. I tried this with different CVS codes
(august 2009, march 2010), different MPI libraries (mvapich2, openmpi),
always with the intel compiler (11.0.083) on Linux-x86_64 architecture.
The result is always the same.
As soon as I compile against tcl 8.4 , I am able to run the forces
tutorials flawlessly.
Best
Vlad
-- ---------------------------------------------------------------------------- Dr. Vlad Cojocaru Heidelberg Institute for Theoretical Studies HITS gGmbH Molecular and Cellular Modelling Group Schloss-Wolfsbrunnenweg 35 69118 Heidelberg Tel: ++49-6221-533202 Fax: ++49-6221-533298 e-mail:Vlad.Cojocaru[at]h-its.org http://projects.villa-bosch.de/mcm/people/cojocaru/ ---------------------------------------------------------------------------- Amtgericht Mannheim / HRB 337446 Managing Directors: Dr. h.c. Klaus Tschira, Prof. Dr.-Ing. Andreas Reuter http://www.h-its.org (http://eml-research.de) ----------------------------------------------------------------------------
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