Job-Scripts

Scripts for submitting VASP calculations to Quest, Carbon, and Stampede supercomputers.

Check the VASP user guide for info on flags. https://cms.mpi.univie.ac.at/vasp/vasp/vasp.html

For those running jobs on SLURM schedulers, here are some aliases that may be useful:

• alias sq='squeue -l' #look at all jobs
• alias mtdq='squeue -A <alloc code>' #look at jobs of a specific allocation
• alias myq='squeue -u <username>' #look at your jobs
• alias st='squeue --start -u <username>' #get estimated start times for your pending jobs