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Zlecanie zadań

Przykładowy skrypty dla systemu kolejkowego

 

Code Block
languagebash
titleTeraChem (zrówboleglenie na dwie karty graficzne)
# #!/bin/sh

# TeraChem can run on a single node only
#PBS -l nodes=1:ppn=2:terachem:gpus=2:exclusive_process

#PBS -N sample_terachem
#PBS -q gpgpu

cd $PBS_O_WORKDIR

# initializing proper environment for TeraChem
module add gpu/terachem

# actual job
$TERACHEMRUN ch.inp > ch.log

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