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1mingfei / KNN2

on-lattice Kinetic Monte Carlo with NN potential
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output number of processors after job starts #75

Closed 1mingfei closed 4 years ago

1mingfei commented 4 years ago

We want to output the number of processors using. So when submitting a job with multiple tasks, users can know how many cores exactly each job is running.

Also, a sample slurm submission script example is needed for multiple tasks.

zhucongx commented 4 years ago

https://portal.tacc.utexas.edu/user-guides/stampede2

Check this for partitioning info

1mingfei commented 4 years ago

sample submission script by Zhucongx `#!/bin/bash -l

SBATCH -p development

SBATCH -t 00:30:00

SBATCH -A TG-MSS160003

SBATCH -N 1

SBATCH -n 60

cd $PBS_O_WORKDIR

source /home1/07075/tg863748/load_KNN2

cd Dir_0.15 ibrun -n 12 -o 0 /home1/07075/tg863748/KNN2/bin/kn.exe -p kmc.param > cout.txt & cd ..

cd Dir_0.2 ibrun -n 12 -o 12 /home1/07075/tg863748/KNN2/bin/kn.exe -p kmc.param > cout.txt & cd ..

cd Dir_0.25 ibrun -n 12 -o 24 /home1/07075/tg863748/KNN2/bin/kn.exe -p kmc.param > cout.txt & cd ..

cd Dir_0.3 ibrun -n 12 -o 36 /home1/07075/tg863748/KNN2/bin/kn.exe -p kmc.param > cout.txt & cd ..

cd Dir_0.35 ibrun -n 12 -o 48 /home1/07075/tg863748/KNN2/bin/kn.exe -p kmc.param > cout.txt & cd ..

wait`

zhucongx commented 4 years ago

For cori system, please use shared mode if the number of processors you intend to use is low https://docs.nersc.gov/jobs/examples/