Re: NAMD 2.10 Building from Source

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Jul 09 2015 - 16:05:02 CDT

You may want to check if there is any other output file from the queuing
system other than the standard output, which you can't see.

Without seeing the error message, it's very difficult to guess what's
wrong, especially seeing as you got to the linking phase OK.

Giacomo

On Thu, Jul 9, 2015 at 5:02 PM, Kumar, Amit <ahkumar_at_mail.smu.edu> wrote:

> Can’t believe my message was delivered only in parts, even though my
> sent email has the full text. Hope this will reach:
>
>
>
> Hello!!
>
>
>
> 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.
>
>
>
> Thank you,
>
> Amit
>
>
>
> *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
>
>
>
> http://www.ks.uiuc.edu/Research/namd/2.10/notes.html#compiling
>
>
>
> On Thu, Jul 9, 2015 at 4:28 PM, Kumar, Amit <ahkumar_at_mail.smu.edu> wrote:
>
> Hello!!
>
>
>
> I am trying to build NAMD 2.10 from source, so that I can use a much
> tightly integrated MPI with our SLURM scheduler
>
>
>
>
> --
>
> Giacomo Fiorin
>
> 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
>
> Phone: +1-215-204-4213
>
> http://goo.gl/Q3TBQU
>
> http://giacomofiorin.github.io/
>
> https://icms.cst.temple.edu/members.html
>
>
>

-- 
Giacomo Fiorin
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
Phone: +1-215-204-4213
http://goo.gl/Q3TBQU
http://giacomofiorin.github.io/
https://icms.cst.temple.edu/members.html

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