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...@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@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@rocks7 ~]$ grep nprocshared trimer.gjf > %nprocshared=12 > [noor@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@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 > >
