Using the multi-copy version of NAMD on a linux workstation

From: Avisek Das (avisek_at_uchicago.edu)
Date: Fri May 29 2015 - 14:43:18 CDT

• Next message: hannes.loeffler_at_stfc.ac.uk: "RE: atom types in PSF/PRM/RTF"
• Previous message: Jason Swails: "Re: atom types in PSF/PRM/RTF"
• Next in thread: Norman Geist: "RE: Using the multi-copy version of NAMD on a linux workstation"
• Reply: Norman Geist: "RE: Using the multi-copy version of NAMD on a linux workstation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,

I am interested in using the multi-copy algorithms in NAMD on my Linux workstation. It is a standard Dell Precision workstation with 8 cores. I want to do this for debugging some codes.
I downloaded the installation listed under "Linux-x86_64-netlrts<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1320> (Multi-copy algorithms)" and tried to run it with the following command.

charmrun +p4 ++local ./namd2 +replicas 16 initial.conf +stdout output/%02d/job00.%04d.log

The program would not start. My questions are:

1. Is this the right version of NAMD for using the multiple copy algorithms?
2. If yes, what is the correct way to launch the executable.

Thanks,
Avisek

• Next message: hannes.loeffler_at_stfc.ac.uk: "RE: atom types in PSF/PRM/RTF"
• Previous message: Jason Swails: "Re: atom types in PSF/PRM/RTF"
• Next in thread: Norman Geist: "RE: Using the multi-copy version of NAMD on a linux workstation"
• Reply: Norman Geist: "RE: Using the multi-copy version of NAMD on a linux workstation"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:54 CST