[gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

[Carsten Kutzner]

PAUL NEWMAN wrote:
> Dear all:
> I made a simulation about a polyelectrolyte with some ions, it runs ok 
> when I use cut-off for both Wdv and Coulomb. However I get the following 
> error when I change it to PME. I attache my mdp file . Could someone 
> help me to find what it's wrong in my file?. Thanks in advance.
> -------------------------------------------------------
> Program mdrun, VERSION 3.3.1
> Source code file: fftgrid.c, line: 75
> 
> Fatal error:
> Failed to allocated u bytes of aligned memory.
> -------------------------------------------------------
How big is your system (number of atoms)? Seems there is not enough
memory to initialise the pme grid. On how many CPUs and on how many
nodes do you run?

Carsten