HPC Application Tutorial: VASP on Frontera and Stampede2 - 12 March, 2020 1pm-4pm CT

Posted by Jason Allison on Feb 18, 2020 9:43:47 AM

We are pleased to announce the HPC Application Tutorial: VASP on Frontera and Stampede2 Training being held on March 12th, 2020 from 1pm to 4pm CT. This new training module helps beginner and intermediate users of the VASP software package to carry out calculations with desirable performance and efficient usage of resources on TACC systems. It covers basic procedures for running VASP on TACC systems like Frontera and Stampede2, including:

- how to use a TACC supercomputer,
- how to gain access to the TACC installed VASP software environment,
- how to build VASP in licensed user's accounts for debugging, and
- how to build VASP in licensed user’s accounts with 3rd-party extensions.

The training also introduces the general steps for determining the task topology for optimal performance and scaling of VASP jobs under the TACC computing environment. Furthermore, we present and explain some of the most common issues and solutions to help users save effort in troubleshooting VASP related errors.

This training focuses on the system and computing environment aspects and how to run VASP efficiently on TACC systems. It is not a tutorial for researchers on how to use VASP to solve science problems. Users need to refer VASP manual and forum for that purpose.

This training is being made available to attendees via a live webcast. Registration for this event closes at 5pm CT on March 10th, 2020. To register and for more information please visit:

Please contact me at jasona@tacc.utexas.edu if you have any questions.