Re: NAMD2.7 on BluegeneL hang at "LDB: Central LB being created..."

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Mar 02 2011 - 22:32:28 CST

can you run the charm++ tests?

that is what i would check first.

axel.

On Wed, Mar 2, 2011 at 10:42 PM, Dong Luo <us917_at_yahoo.com> wrote:
> Hi,
>
> I'm trying to use colvars in NAMD2.7 for distance restraints. There is no
> precompiled version for BluegeneL in the download section. I downloaded the
> source code and compiled following the instructions on this link:
> http://bluegene.bnl.gov/comp/buildnamd.html
>
> However, the simulation (no matter with colvars or not) using this namd2 2.7
> version always hang after Startup phase 5 as shown in the log:
> "
> Info: REMOVING COM VELOCITY 0.0209799 0.0192793 0.000362722
> Info: LARGEST PATCH (156) HAS 345 ATOMS
> Info: Startup phase 3 took 0.246489 s, 17.3047 MB of memory in use
> Info: PME using 40 and 32 processors for FFT and reciprocal sum.
> Info: PME GRID LOCATIONS: 7 15 23 27 31 39 47 55 59 63 ...
> Info: PME TRANS LOCATIONS: 3 11 19 29 35 43 51 61 67 75 ...
> Info: Startup phase 4 took 0.00254185 s, 17.3047 MB of memory in use
> Info: Startup phase 5 took 0.0261579 s, 17.3047 MB of memory in use
> LDB: Central LB being created...
> "
> namd2 2.6 version can run normally, but lacks the colvars function I assume.
>
> Any directions?
>
> Thank you.
>
> Dong
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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