Difference between revisions of "CP2K"
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[http://cp2k.berlios.de/ {{PAGENAME}}] a {{#show: {{PAGENAME}} |?description}} with force calculation from, DFT using a mixed plane-wave and gaussian basis, or classical two or many-body potentials. | [http://cp2k.berlios.de/ {{PAGENAME}}] a {{#show: {{PAGENAME}} |?description}} with force calculation from, DFT using a mixed plane-wave and gaussian basis, or classical two or many-body potentials. | ||
Revision as of 09:46, 9 September 2011
CP2K a atomistic and molecular simulations code with force calculation from, DFT using a mixed plane-wave and gaussian basis, or classical two or many-body potentials.
Experts
These experts have registered specific competence on this subject:
| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Johan Raber (NSC) | NSC | Computational chemistry | 50 |
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 |
| Lindgren | PDC | Cray XE6 capability cluster with 305 TFLOPS peak performance |
| Triolith | NSC | Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |
License
License: Free.
The CP2K code is distributed under GPL.
