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.
|capability resource of 153 TFLOPS with full bisectional infiniband interconnect
|capability cluster resource of 54 TFLOPS with infiniband interconnect
|throughput cluster resource
|Cray XE6 capability cluster with 305 TFLOPS peak performance
|Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree
The CP2K code is distributed under GPL.
These experts have registered specific competence on this subject:
|Johan Raber (NSC)