From: Chris Harrison (charris5_at_gmail.com)
Date: Fri Nov 11 2011 - 13:03:52 CST
It seems the rest of your message was cutoff. Can you please resend.
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 773-570-0329 http://www.ks.uiuc.edu/~char Fax: 217-244-6078 Nikhil Kumar Mittal <nikhil_at_hpclinks.com> writes: > Date: Fri, 11 Nov 2011 23:40:52 +0530 > From: Nikhil Kumar Mittal <nikhil_at_hpclinks.com> > To: namd-l_at_ks.uiuc.edu > Subject: namd-l: ERROR: Atoms moving too fast; > X-Mailer: Microsoft Office Outlook 12.0 > > Hi, > I downloaded the NAMD 2.8 source code and built it on my CentOS 5.6 x86 64 bit > system with CUDA and OpenMPI enabled (I followed steps given in the notes.txt > and my build of namd2 ran fine without any problems). > I am using OpenMPI 1.4.3 and CUDA 4.0 (2 Tesla M2070 on one node). > When I run namd2 as a single process using stmv.namd it works fine. But as soon > as I increase the processes to 2 or more, I get following error: > > +++++++++++++++++++++++++++++++++++++++++++++++++++++ >
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