From: Shirley Hui (shirleyhui_at_alumni.uwaterloo.ca)
Date: Wed Mar 02 2005 - 13:27:57 CST
Hi brian,
As it turns out, the administrator of the machine I was using said that were
problems where due to the fact that "since the home directories are nfs
mounted, NAMD is having a hard time writing to the file". The file seems to
be generated ok now when I run the application from the /tmp directory.
thanks,
shirley
----- Original Message -----
From: "Brian Bennion" <brian_at_youkai.llnl.gov>
To: "Shirley Hui" <shirleyhui_at_alumni.uwaterloo.ca>
Cc: <namd-l_at_ks.uiuc.edu>
Sent: Wednesday, March 02, 2005 2:22 PM
Subject: Re: namd-l: NAMD attempting to read FFTW
>
> Hello
>
> This file is normally generated once and only once for each MD simulation
> of the same system. If it can't read the file it will eventually timeout
> and create one. The file contains optimizations/parameters for the
> fourier transform code FFTW that can be reused if namd is called to run on
> the same system.
>
> Can you give us some details about the machine your running on, the
> operating system, version of NAMD2.5, etc...
>
> Brian
>
>
> On Tue, 1 Mar 2005, Shirley Hui wrote:
>
> > When I start a NAMD simulation, it never gets passed the line:
> >
> > Info: Attempting to read FFTW data from FFTW_NAMD_2.5_Linux-ia64-MPT.txt
> >
> > This file is never generated (as it is when I run it on a Windows
machine).
> > Does anyone know what might be the problem?
> > Thanks,
> > shirley
>
> ************************************************
> Brian Bennion, Ph.D.
> Bioscience Directorate
> Lawrence Livermore National Laboratory
> P.O. Box 808, L-448 bennion1_at_llnl.gov
> 7000 East Avenue phone: (925) 422-5722
> Livermore, CA 94550 fax: (925) 424-6605
> ************************************************
>
>
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