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PBS Scripts

Job Submission Information

Create a subdirectory in home directory and copy/create an input file inside that and then create PBS-script for the program/executable. A PBS-script is just like a shell script, with some additional PBS-specific environment definitions.

Users should have a rough idea about the amount of cpu-time their jobs will require.

• Then, to submit the job use the qsub command:

#qsub my_PBS_script.cmd

based on the job requirement specified, jobs will be assigned appropriate queues

If a job goes beyond its determined cut-off cpu-time, the server will kill it

After the submission, users will get back a job-id for their job

• To check the status of a job use the qstat command:

#qstat job-id

• Similarly, to delete a job use the qdel command:

#qdel job-id

Abaqus

AMBER

ANSYS

C - Scripts

Gromacs

Matlab

Namd

Star-CCM