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comet
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| comet [2019/01/31 10:34] – edit | comet [2019/01/31 10:35] (current) – edit | ||
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| - | Here is the instructions to run NAMD on comet computer: | + | Here is the instructions to run NAMD on comet supercomputer: |
| your work directory is as follows: | your work directory is as follows: | ||
| Line 16: | Line 16: | ||
| #!/bin/csh | #!/bin/csh | ||
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| #SBATCH -A mda123 | #SBATCH -A mda123 | ||
| + | |||
| #SBATCH --job-name=popcr1 | #SBATCH --job-name=popcr1 | ||
| + | |||
| #SBATCH --partition=gpu | #SBATCH --partition=gpu | ||
| + | |||
| #SBATCH --nodes=1 | #SBATCH --nodes=1 | ||
| + | |||
| #SBATCH --ntasks-per-node=24 | #SBATCH --ntasks-per-node=24 | ||
| + | |||
| #SBATCH --export=ALL | #SBATCH --export=ALL | ||
| + | |||
| #SBATCH --no-requeue | #SBATCH --no-requeue | ||
| + | |||
| #SBATCH --gres=gpu: | #SBATCH --gres=gpu: | ||
| + | |||
| #SBATCH -t 24:00:00 | #SBATCH -t 24:00:00 | ||
| + | |||
| # | # | ||
| + | |||
| More information about comet supercomputer can be accessed from the following link: https:// | More information about comet supercomputer can be accessed from the following link: https:// | ||
comet.1548948846.txt.gz · Last modified: 2019/01/31 10:34 by edit