Difference between revisions of "VASP"
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{{software info | {{software info | ||
| − | |description= | + | |description=electronic structure calculation |
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|research areas=Computational materials science, Computational chemistry | |research areas=Computational materials science, Computational chemistry | ||
|resources=kappa, matter, neolith | |resources=kappa, matter, neolith | ||
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| − | The Vienna Ab initio Simulation Package ({{PAGENAME}}) is {{#show: {{PAGENAME}} |?description}}. It is commonly used in the physics and materials science communities. | + | The Vienna Ab initio Simulation Package ({{PAGENAME}}) is a program for performing {{#show: {{PAGENAME}} |?description}}. It is commonly used in the physics and materials science communities. |
== Experts == | == Experts == | ||
Revision as of 14:20, 7 July 2011
The Vienna Ab initio Simulation Package (VASP) is a program for performing 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.
