[gmx-users] Failed to realloc error

[Maxim Brodmerkel]

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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