How to Use the Molecular Modeling Facility Cluster
If you want to get an account on the cluster, please contact the Director at 4-4508 or e-mail to firstname.lastname@example.org.
From a workstation X11 terminal, you can open a secure shell connection:
Login Nodes (gplogin1.ps.uci.edu, gplogin2, and gplogin3)
Non-compute-intensive programs can be run on the login nodes. These include result-visualization and molecule-building programs like: [some software packages need an environment module loaded first]
The following packages are set up to run from the queue on the compute nodes:
SLURM Queuing System
Full documentation can be found on the SchedMD website. but here is a short list:
You will also need to copy the example run script to your calculation setup directory:
cp /modfac/etc/run_slurm[.software] ~/path/to/your/calculation/input/directory/
Go to your calculation directory and edit the run script per its internal documentation (use gedit, gvim, emacs, etc.)
The job submission partitions are listed below:
*mf_ilg2.3 "cores" are modules with two integer units and a floating-point unit
Once your job is ready to go, type "sbatch run_slurm" and patiently wait for your results to come back.