From SNIC Documentation
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.
|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|
The CP2K code is distributed under GPL.
ExpertsNo 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|
|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|