ONETEP Performance on the BlueGene/Q Architecture

ONETEP has been successfully ported to the BlueGene/Q Architecture thanks to

on various ~4000-atom systems: a CNT, a GaAs nanorod, bulk Silicon, and 64 base pairs of DNA. These were run for 1 NGWF iteration with production-quality settings (large kernel thresholds, 8.0a0 NGWFs, 800eV cutoffs).

Page last modified on November 22, 2013, at 09:22 AM