[slurm-users] Memory allocation error

[Chris Samuel]

On Wednesday, 14 March 2018 7:37:19 PM AEDT Mahmood Naderan wrote:

> I tried with --mem=2000M in the slurm script and put strace command in front
> of g09. Please see some last lines

Gaussian is trying to allocate more than 2GB of RAM in that case.

Unfortunately your strace doesn't show anything useful as the failure is in a 
process that's forked off from the shell script that is g09 and your strace 
isn't following child processes.

If you put this in your script rather than the g09 command what does it say?

ulimit -a

Also this code can be useful to find out how much memory Gaussian is actually 
using, though you'll need root access (or a helpful sysadmin there) to be able 
to use it.

https://github.com/gsauthof/cgmemtime

It will use a special cgroup (which it can configure for you) to track the 
memory usage of the whole Gaussian run for you.

All the best,
Chris
-- 
 Chris Samuel  :  http://www.csamuel.org/  :  Melbourne, VIC