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GROMACS is a versatile package for molecular dynamics (MD, Newtonian motion simulation in systems with hundreds to millions of particles).


AbiskoHPC2Ncapability resource of 153 TFLOPS with full bisectional infiniband interconnect
AkkaHPC2Ncapability cluster resource of 54 TFLOPS with infiniband interconnect
AlarikLUNARCthroughput cluster resource of 40 TFLOPS
AuroraLUNARCthroughput/general purpose cluster resource
BedaC3SEthroughput cluster resource
ErikLUNARCPrototype system featuring 68 Nvidia Tesla K20m GPU cards and 2 Xeon Phi cards
GlennC3SEthroughput cluster resource
KappaNSCthroughput cluster resource of 26 TFLOPS
LindgrenPDCCray XE6 capability cluster with 305 TFLOPS peak performance
MatterNSCcluster resource of 37 TFLOPS dedicated to materials science
PlatonLUNARCthroughput cluster resource of 26 TFLOPS
TriolithNSCCapability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree


License: Free.


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Johan Raber (NSC)NSCComputational chemistry50