[slurm-users] cpu limit issue

[Jeffrey Frey]

Check the Gaussian log file for mention of its using just 8 CPUs-- just because there are 12 CPUs available doesn't mean the program uses all of them.  It will scale-back if 12 isn't a good match to the problem as I recall.

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> On Jul 10, 2018, at 15:58, Renfro, Michael <Renfro at tntech.edu> wrote:
> 
> Gaussian? Look for NProc=8 or similar lines (NPRocShared, could be other options, too) in their input files. There could also be some system-wide parallel settings for Gaussian, but that wouldn’t be the default.
> 
>> On Jul 10, 2018, at 2:04 PM, Mahmood Naderan <mahmood.nt at gmail.com> wrote:
>> 
>> Hi,
>> I see that although I have specified cpu limit of 12 for a user, his job only utilizes 8 cores.
>> 
>> 
>> 
>> [root at rocks7 ~]# sacctmgr list association format=partition,account,user,grptres,maxwall
>> Partition    Account       User       GrpTRES     MaxWall 
>> ---------- ---------- ---------- ------------- ----------- 
>>   emerald         z3 noor cpu=12,mem=1+ 30-00:00:00 
>> 
>> 
>> 
>> [noor at rocks7 ~]$ grep nprocshared trimer.gjf
>> %nprocshared=12
>> [noor at rocks7 ~]$ cat trimer.sh
>> #!/bin/bash
>> #SBATCH --output=trimer.out
>> #SBATCH --job-name=trimer
>> #SBATCH --ntasks=12
>> #SBATCH --mem=18GB
>> #SBATCH --partition=EMERALD
>> g09 trimer.gjf
>> [noor at rocks7 ~]$ rocks run host compute-0-3 "ps aux | grep l401.exe"
>> noor 30520  796  1.3 21078896 855696 ?     Rl   23:27  16:11 /usr/local/chem/...........
>> 
>> 
>> 
>> 
>> Any idea?
>> 
>> 
>> Regards,
>> Mahmood
>> 
>> 
>