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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases
bit Xplor-NIH VMD-XPLOR
slurmXplor.txt

Generate a SLURM script and submit it as a s job using sbatch.

slurmXplor: [option]
where option is any of those listed under xplor -help, with the additional slurm-specific options below. By default, the output (log) file name prefix is the root name of the run script.

The following sbatch options are supported (see man sbatch):

-dependency <arg>       - arg is usually afterok:job_id
                          to order jobs
-mem <mem>              - amount of memory per cpu. Default: 2G
-ntasks <num>           - number of tasks. Default: 1
-nodes <num>            - number of nodes
-no-kill                - specify that the job is fault-tolerant
-partition <partition>  - partition name
-time <arg>             - a walltime limit (2 days by default)

Other options:

-to-sbatch <arg>  - specify additional arguments to the sbatch
                    command.
-nomail   - do not send emails at jobs start and stop
-keep     - do not delete the automatically generated slurm script
-dryrun   - do not actually submit the script.
-rsh      - specify the command to execute a remote command
-N <name> - specify slurm job name

Additional common options

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