GROMACS
Revision as of 10:13, 7 July 2011 by Joel Hedlund (NSC) (talk | contribs)
GROMACS is versatile package for molecular dynamics (MD, Newtonian motion simulation in systems with hundreds to millions of particles).
Contents
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 |
Alarik | LUNARC | throughput cluster resource of 40 TFLOPS |
Aurora | LUNARC | throughput/general purpose cluster resource |
Beda | C3SE | throughput cluster resource |
Erik | LUNARC | Prototype system featuring 68 Nvidia Tesla K20m GPU cards and 2 Xeon Phi cards |
Glenn | 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 |
Platon | LUNARC | throughput cluster resource of 26 TFLOPS |
Triolith | NSC | Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |
License
License: Free.