Difference between revisions of "VASP"
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|fields=Computational materials science; Computational chemistry | |fields=Computational materials science; Computational chemistry | ||
| − | |resources=kappa;matter;neolith;beda;akka;abisko | + | |resources=kappa;matter;neolith;beda;akka;abisko;lindgren |
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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. | 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. | ||
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* [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html VASP online manual]. Find out what all those INCAR keyword means, what their default values are, etc. | * [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html VASP online manual]. Find out what all those INCAR keyword means, what their default values are, etc. | ||
* [http://cms.mpi.univie.ac.at/vasp-forum/forum.php 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. | * [http://cms.mpi.univie.ac.at/vasp-forum/forum.php 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. | ||
| + | * [http://www.pdc.kth.se/resources/software/installed-software/restricted-software/vasp/user-information Instructions for using VASP at PDC] | ||
Revision as of 10:28, 9 September 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 |
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 |
License
License: Requires license.
VASP is not a "free" software. A valid VASP license is required to be allowed to use it, even for centre provided installations.
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.
- Instructions for using VASP at PDC
