Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC.

Carsten Kutzner Rossen Apostolov Berk Hess Helmut Grubmüller

Published in: PARCO (2013)

Keyphrases

molecular dynamics
high performance computing
molecular dynamics simulations
scientific data
protein folding
source code
fluid flow
database
high level
data management