Failed to realloc error - Redmine #2932
Archive from user: Maxim Brodmerkel
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:
Not enough memory. Failed to realloc 18446744065119617024 bytes for
Or, after using 2016.6:
Not enough memory. Failed to realloc
8589934592 bytes for
The simulations are done in the gas phase, with all-to-all neighbourlist and no cut-offs.
I hope you could help me with fixing this error.
With kind regards,
(from redmine: issue id 2932, created on 2019-04-25 by gmxdefault, closed on 2019-05-23)
- Revision 5c4b41ed by Paul Bauer on 2019-05-23T08:09:48Z:
Add check for allocating too many interactions Also change argument to nbnxn reallocation function from int to std::size_t to avoid signed integer overflow. Fixes #2932 Change-Id: I97bdd825ba1e4d81b65b4e4c037f980164c571f2