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10 lines
298 B
10 lines
298 B
#!/bin/bash |
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#SBATCH --nodes=1 |
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#SBATCH --ntasks=1 |
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#SBATCH --cpus-per-task=1 |
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#SBATCH --time=168:0:0 |
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export LD_LIBRARY_PATH=/home/adit/opt/openmpi411/lib:$LD_LIBRARY_PATH |
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export PATH=/home/adit/opt/openmpi411/bin:$PATH |
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export OMP_NUM_THREADS=1 |
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cd $PWD |
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$ORCA_COMMAND cmmd.in > cmmd.out --oversubscribe
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