[gmx-developers] smalloc.c

[David van der Spoel]

Patricia Soto Becerra wrote:
> Hi,
> I want to implement the rest algorithm (PNAS, 102, 39, 13749-13754. 
> (2005)). I have been following the discussions in the list of a very 
> similar implementation, particularly:
> 
> http://www.gromacs.org/pipermail/gmx-developers/2006-January/001493.html
> http://www.gromacs.org/pipermail/gmx-developers/2006-January/001494.html
> 
> Nevertheless, I get the error message:
> ______________________________________
> Source code file: smalloc.c, line: 113
> Fatal error:
> calloc for ir->opts.nrdf (nelem=1066665789, elsize=4, file tpxio.c, line 
> 487)
> -------------------------------------------------------
> 
> I just cannot figure it out... Does anybody have a suggestion on how to 
> solve this?
> 
there must be an inconsistency in your tpr file. Did you try to modify 
that?

> Thanks!
> 
> Patricia
> 
> ~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_
> ~_ Dr. Patricia Soto
> ~_ Post-doctoral Researcher
> ~_ Department of Chemistry and Biochemistry
> ~_ University of California, Santa Barbara CA 93106 - 9510 ~_ United States
> ~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_~_
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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