CP2K

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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.

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.

Experts

No experts have currently registered expertise on this specific subject. List of registered field experts:
Field AE FTE General activities
Erik Fransson (C3SE) C3SE Computational materials science 100100 Various modification and analysis tool development
Johan Raber (NSC) NSC Computational chemistry 5050
Michael Stenrup (UPPMAX) UPPMAX Computational chemistry 2525
Pavlin Mitev (UPPMAX) UPPMAX Computational materials science 4545
Torben Rasmussen (NSC) NSC Computational chemistry 100100 Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.
Weine Olovsson (NSC) NSC Computational materials science 9090 Application support, installation and help


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