[gmx-users] Failed to realloc error

Maxim Brodmerkel maxim.brodmerkel at kemi.uu.se
Wed Apr 24 15:44:27 CEST 2019


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,

I hope you could help me with fixing this error.

With kind regards,
Maxim Brodmerkel

N?r du har kontakt med oss p? Uppsala universitet med e-post s? inneb?r det att vi behandlar dina personuppgifter. F?r att l?sa mer om hur vi g?r det kan du l?sa h?r: http://www.uu.se/om-uu/dataskydd-personuppgifter/

E-mailing Uppsala University means that we will process your personal data. For more information on how this is performed, please read here: http://www.uu.se/en/about-uu/data-protection-policy

More information about the gromacs.org_gmx-users mailing list