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.
Software containers are an important common currency for portable and reproducible computing. Learn best practices on building, using, and sharing Docker and Singularity containers in this hands-on workshop. Also learn how to run those containers on TACC HPC systems, including MPI and GPU aware containers.
During the third day of this 3-day training event, we cover advanced MPI topics including performance optimizations and best practices on Frontera. We also discuss parallel I/O. Participants will need to bring their laptops to participate in the hands-on session.