From: Kumar, Amit (ahkumar_at_mail.smu.edu)
Date: Thu Jul 09 2015 - 16:02:07 CDT
Can’t believe my message was delivered only in parts, even though my sent email has the full text. Hope this will reach:
I am trying to build NAMD 2.10 from source, so that I can use a much tightly integrated MPI with our SLURM scheduler.
All goes well during compilation. But when I run ./namd2 example/example.namd nothing happenes and no output. The command returns to prompt immediately.
I have followed all steps in building charm++ library for MPI version. Also have prebuilt fftw and tcl from http://www.ks.uiuc.edu/Research/namd/libraries
in the source directory as required(fftw, and tcl & tcl-threaded)
edited Make.charm with CHARMBASE path then ran a config and make to finish compilation. And worked fine but namd2 executable does not thing.
I am sure I am missing something obvious but can’t get my head around.
From: Giacomo Fiorin [mailto:giacomo.fiorin_at_gmail.com]
Sent: Thursday, July 09, 2015 3:46 PM
To: NAMD list; Kumar, Amit
Subject: Re: namd-l: NAMD 2.10 Building from Source
On Thu, Jul 9, 2015 at 4:28 PM, Kumar, Amit <ahkumar_at_mail.smu.edu<mailto:ahkumar_at_mail.smu.edu>> wrote:
I am trying to build NAMD 2.10 from source, so that I can use a much tightly integrated MPI with our SLURM scheduler
Assistant Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
Philadelphia, PA 19122-1801
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