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sander -O -i in.md -c crd.md.23 -o cytosine.out | sander -O -i in.md -c crd.md.23 -o cytosine.out | ||
The following example is a sander.MPI parallel job script, mysub.sh | The following example is a sander.MPI parallel job script, mysub.sh | ||
#!/bin/bash | #!/bin/bash | ||
#SBATCH --nodes=1 --ntasks-per-node=32 # 1 node with 32 cpus, MPI job | #SBATCH --nodes=1 --ntasks-per-node=32 # 1 node with 32 cpus, MPI job | ||