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| Code Block |
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> salloc --nodes=1 --time=00:30:00 --partition=mpp2cm2_inter |
For requesting one node on the test partition of SuperMuc-NG for half an hour, please issue:
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For production runs, please create a SLURM batch script and submit via "sbatch".
Linux Cluster | SuperMUC-NG |
|---|
#!/bin/bash
#SBATCH -o /dss/dsshome1/<group>/<user>/mydir/%x.%j.out
#SBATCH -e /dss/dsshome1/<group>/<user>/mydir/%x.%j.err
#SBATCH -D /dss/dsshome1/<group>/<user>/mydir
#SBATCH -J <job_name>
#SBATCH --time=24:00:00
#SBATCH --clusters=mpp2=cm2
#SBATCH --partition=cm2_tiny
#SBATCH --qos=cm2_tiny
#SBATCH --nodes=1
#SBATCH --export=NONE
#SBATCH --get-user-env
#SBATCH --mail-type=end
#SBATCH --mail-user=<email_address>@<domain>
source /etc/profile.d/modules.sh
module load slurm_setup
module load pymol
pymol -c PML_FILE_NAME.pml | #!/bin/bash
#SBATCH -o /dss/dsshome1/<group>/<user>/mydir/%x.%j.out
#SBATCH -e /dss/dsshome1/<group>/<user>/mydir/%x.%j.err
#SBATCH -D /dss/dsshome1/<group>/<user>/mydir
#SBATCH -J <job name>
#SBATCH --time=24:00:00
#SBATCH --partition=micro
#SBATCH --nodes=1
#SBATCH --export=NONE
#SBATCH --get-user-env
#SBATCH --mail-type=END
#SBATCH --mail-user=<email_address>@<domain>
#SBATCH --account=<project id>
module load slurm_setup
module load pymol
pymol -c PML_FILE_NAME.pml |
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