VASP
Revision as of 10:01, 6 July 2011 by Joel Hedlund (NSC) (talk | contribs)
The Vienna Ab initio Simulation Package (VASP) is electronic structure calculation. It is commonly used in the physics and materials science communities.
Contents
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Diana Iusan (UPPMAX) | UPPMAX | Computational materials science Performance tuning | 50 | Compilation, performance optimization, and best practice usage of electronic structure codes. |
| Weine Olovsson (NSC) | NSC | Computational materials science | 90 | Application support, installation and help |
General Info
VASP is not a "free" software. A valid VASP license is required to be allowed to use it.
Availability
| Resource | Centre | Description |
|---|---|---|
| Abisko | HPC2N | capability resource of 153 TFLOPS with full bisectional infiniband interconnect |
| Akka | HPC2N | capability cluster resource of 54 TFLOPS with infiniband interconnect |
| Beda | C3SE | throughput cluster resource |
| Kappa | NSC | throughput cluster resource of 26 TFLOPS |
| Lindgren | PDC | Cray XE6 capability cluster with 305 TFLOPS peak performance |
| Matter | NSC | cluster resource of 37 TFLOPS dedicated to materials science |
| Triolith | NSC | Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |
Links
- Main web page. News about bug fixes and general information about VASP.
- VASP online manual. Find out what all those INCAR keyword means, what their default values are, etc.
- The VASP forum. For discussing "tricks of the VASP-trade", which knobs to turn, why results look strange, etc. To be able to post questions, you have to be registered and you need a VASP license.
