most citedIntegrating State of the Art Compute, Communication, and Autotuning Strategies to Multiply the Performance of the Application Programm CPMD for Ab Initio Molecular Dynamics Simulations

2 citations · 3 across the 2 of their papers we have counts for

collaborators

2 papers

physics.comp-ph2020★ 2 cited

Integrating State of the Art Compute, Communication, and Autotuning Strategies to Multiply the Performance of the Application Programm CPMD for Ab Initio Molecular Dynamics Simulations

Tobias Klöffel, Gerald Mathias, Bernd Meyer

We present our recent code modernizations of the of the ab initio molecular dynamics program CPMD (www.cpmd.org) with a special focus on the ultra-soft pseudopotential (USPP) code…

cs.DC2016★ 1 cited

Extreme Scale-out SuperMUC Phase 2 - lessons learned

Nicolay Hammer, Ferdinand Jamitzky, Helmut Satzger +36

In spring 2015, the Leibniz Supercomputing Centre (Leibniz-Rechenzentrum, LRZ), installed their new Peta-Scale System SuperMUC Phase2. Selected users were invited for a 28 day extr…