On Wednesday, 14 March 2018 9:14:45 PM AEDT Mahmood Naderan wrote:
> Thank you very much.
My pleasure, so glad it helped!
--
Chris Samuel : http://www.csamuel.org/ : Melbourne, VIC
>If you put this in your script rather than the g09 command what does it say?
>
>ulimit -a
That was a very good hint. I first ran ssh to compute-0-1 and saw
"unlimited" value for "max memory size" and "virtual memory". Then I
submitted the job with --mem=2000M and put the command in the slurm
scri
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
Hi again
I tried with --mem=2000M in the slurm script and put strace command in
front of g09. Please see some last lines
fstat(3, {st_mode=S_IFREG|0664, st_size=0, ...}) = 0
fstat(0, {st_mode=S_IFREG|0664, st_size=6542, ...}) = 0
mmap(NULL, 8192, PROT_READ|PROT_WRITE, MAP_PRIVATE|MAP_ANONYMOUS, -
Excuse me, but it doesn't work. I set --mem to 2GB and I put free
command in the script. I don't know why it failed.
[mahmood@rocks7 ~]$ sbatch sl.sh
Submitted batch job 19
[mahmood@rocks7 ~]$ squeue
JOBID PARTITION NAME USER ST TIME NODES
NODELIST(REASON)
[mahmood@rock
On 14/03/18 07:11, Mahmood Naderan wrote:
Any idea about that?
You've not requested any memory in your batch job and I guess your
default limit is too low.
To get the 1GB (and a little head room) try:
#SBATCH --mem=1100M
That's a per node limit, so for MPI jobs (which Gaussian is not)
you'l
Hi,
By specifying the following parameters in a gaussian file
%nprocshared=2
%mem=1GB
and a slurm script as below
#!/bin/bash
#SBATCH --output=test.out
#SBATCH --job-name=gaus-test
#SBATCH --nodelist=compute-0-1
#SBATCH --ntasks=1
#SBATCH --cpus-per-task=2
g09 test.gjf
the run terminates with
