[gmx-users] Failed to realloc error

[Mark Abraham]

Hi,

That sort of thing definitely should not happen for systems of size 150k
atoms. Can you please upload a .tpr and .log file to
https://redmine.gromacs.org so we can investigate?

Mark

On Wed, 24 Apr 2019 at 15:44, Maxim Brodmerkel <maxim.brodmerkel at kemi.uu.se>
wrote:

> Hello,
>
> I encountered an error while working on simulating the satellite tobacco
> necrosis virus, comprising 147960 atoms.
>
> During the energy minimisation step using GROMACS version 2019.1 I
> encountered following error:
>
> Fatal error:
> Not enough memory. Failed to realloc 18446744065119617024 bytes for
> nlist->jjnr, nlist->jjnr=0x2b5cb01c9010
>
> Or, after using 2016.6:
>
> Fatal error:
> Not enough memory. Failed to realloc -8589934592 bytes for nlist->jjnr,
> nlist->jjnr=3eb9a010
>
> I hope you could help me with fixing this error.
>
> With kind regards,
> Maxim Brodmerkel
>
>
>
>
>
>
>
>
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