[gmx-users] md.log i/o error in futil.c +459

[Mark Abraham]

On 8/06/2012 11:05 PM, Inon Sharony wrote:
>
> Good afternoon!
>
> I'm getting the following error message from mdrun, and despite 
> trying, I can't seem to find the file futil.c in which the error is 
> supposed to be taking place. Can anyone help me out, please?
>

It's the source file of GROMACS that produce the code from which the 
error originated.

> Thanks, and have a good weekend!
>
> Inon.
>
>
>                          :-)  G  R  O  M  A  C  S  (-:
>
>
>               GROningen Mixture of Alchemy and Childrens' Stories
>
>                             :-)  VERSION 4.5.4  (-:
>
>         Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,
>       Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton Feenstra,
>         Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff,
>            Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz,
>                 Michael Shirts, Alfons Sijbers, Peter Tieleman,
>
>                Berk Hess, David van der Spoel, and Erik Lindahl.
>
>        Copyright (c) 1991-2000, University of Groningen, The Netherlands.
>             Copyright (c) 2001-2010, The GROMACS development team at
>         Uppsala University & The Royal Institute of Technology, Sweden.
>             check out http://www.gromacs.org for more information.
>
>          This program is free software; you can redistribute it and/or
>           modify it under the terms of the GNU General Public License
>          as published by the Free Software Foundation; either version 2
>              of the License, or (at your option) any later version.
>
>                       :-)  mdrun_d (double precision)  (-:
>
>
> -------------------------------------------------------
> Program mdrun_d, VERSION 4.5.4
> Source code file: futil.c, line: 459
>
> File input/output error:
> md.log
> For more information and tips for troubleshooting, please check the 
> GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>

mdrun can't do whatever it should be doing with this file. Probably you 
lack permissions or file space.

Mark
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