From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Tue May 10 2005 - 11:40:25 CDT
What system are you simulating?
Can you send the config and output files?
On Tuesday 10 May 2005 14:31, Xiaoqing Wang wrote:
> Dear all,
> We have recently started to use NAMD to run macromolecular simulations.
> NAMD is a powerful and user-friendly software, and we really like it.
> I have compiled charm++/namd on amd64.
> "./build charm++ mpi-linux opteron -no-build-shared" when build charm
> I downloaded binary namd "NAMD_2.5_Linux-i686" on my own intel P4 CPU.
> But when I run the same program with the same input files on the
> different cpus, the results are different.
> The attachment file "equil.namd" is input file.
> The attachment file "equil_out2.xst" is from intel cpu and
> "equil_out2_amd64.xst" is from amd64 when I use 1 cpu.
> My system become larger when equilibrate the system on amd64.
> Any more files needed?
> Any tips would be greatly appreciated!
-- Jérôme Hénin Equipe de Dynamique des Assemblages Membranaires Université Henri Poincaré / CNRS Tel : (33) 3 83 68 43 95 Fax : (33) 3 83 68 43 71 http://www.edam.uhp-nancy.fr/
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