VASP best practices (NSC-UPPMAX January 2015)
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| Name | VASP best practices (NSC-UPPMAX January 2015) |
|---|---|
| Description | Seminar on running VASP efficiently at Triolith and Beskow (the new Cray XC40 at PDC) |
| Type of event | Seminar |
| Location | Uppsala |
| Start date | 2015-01-15 |
| End date | 2014-01-15 |
Seminar overview
Tentative schedule 13.15-14.00 General performance aspects of DFT codes 14.15-15.00 Influential VASP settings 15.00-15.30 Coffee break 15.30-16.30 VASP in parallel - special focus on PDC's new Cray system 16.30-17.00 Discussions/Q&A
Lecture 1 will cover: 1) parallel efficiency and running economically 2) out of memory 3) typical bottlenecks for DFT codes and what it means when choosing hardware
Lecture 2: NPAR/NCORE etc
Lecture 3: Running big VASP calculations in parallel, some case studies from Beskow
Trainer
The seminar is given by Peter Larsson from NSC
Venue
Lecture room Å80101 at the Ångström Laboratory
