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→Running Amber 16 on Graham
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Graham uses Slurm scheduler, for details about submitting jobs, see [[Running jobs]]. | Graham uses Slurm scheduler, for details about submitting jobs, see [[Running jobs]]. | ||
The following example | The following example is a sander serial job script, mysub.sh (inputs: in.md, crd.md.23, prmtop) | ||
#!/bin/bash | #!/bin/bash | ||
#SBATCH --ntasks=1 # 1 cpu, serial job | #SBATCH --ntasks=1 # 1 cpu, serial job | ||