국립부경대학교 Computational Biophysics Lab.

Please DO NOT run any long simulation jobs on the head node, Synpase, which is the one you accessed.

Run long simulation jobs with condor(https://htcondor.org/), which is a job manager and scheduler.

There is an example with Gromacs job.

Go to the following directory and see the exmaple.

/data/myunggi/class/tutorial/protein/charmm-gui-6598610197/gromacs/

Carefully see the "condor.sh" and "gmx.sh" files.

You can try it. Copy the files to your home (/data/class/22/your_name/), and modify the email address 

in the condor.sh file.

You can run with the follwoing command.

./condor protein

You can check the jobs you submit with the command,

condor_q

Check the cluster with the command,

condor_status

Stop or cancel jobs you submit with the command,

condor_rm your_job_ID

If you have any question, then let me know it.