[gmx-users] Simulation problem

[David van der Spoel]

stranger at xter.net wrote:
> Hi,
> 
> I'm trying to EM a SDS bilayer.
> It seems everything is correct, however the mdrun exits with the
> following error:
> 
> Getting Loaded...
> Reading file topol.tpr, VERSION 3.2.1 (single precision)
> Fatal error: calloc for ilist->iatoms (nelem=-1073805064, elsize=4, file tpxio.c, line 712): Cannot allocate memory
> 
> What this could mean?

tpr file is incorrect, try generating it again.

if  not, then your system is too large (more than 2 billion atoms)


>   
> Thanks,
> Grigor
> 
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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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