Hi Mark! Thanks for the response.
Just to follow up, the problem was that another program was deleting md.log before it could be accessed. This is entirely not the fault of GROMACS, however a more descriptive error message could have saved us some time (e.g. "md.log not found" as opposed to "md.log could not be opened" instead of "file i/o error"). Also, I still don't understand under which directory futil.c is located. I would check whether this file outdated and change the error message accordingly if it is.
Thanks for your time,
Inon.
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
Inon Sharony ינון שרוני
http://atto.TAU.ac.IL/~InonShar
+972-3-640-7634
On 06/08/2012 04:05 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?
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
-------------------------------------------------------
"Everything Must Go" (Red Hot Chili Peppers)
--
Inon Sharony
ינון שרוני
972-3-6407634
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