Table_2.xls (5.5 kB)
Timings for the average geometry optimization step for Chorismate Mutase using using different methods.
dataset
posted on 2014-02-18, 02:50 authored by Anders S. Christensen, Casper SteinmannCasper Steinmann, Dmitri G. Fedorov, Jan H. JensenEFMO-RHF/6-31G(d) timings are obtained from Steinmann et al. [21] The timing marked (1 group) denotes that in this calculation, the MP2 part was distributed across all nodes (see text). All calculations are carried out on 80 Intel Xeon X5550 CPU cores distributed across 10 nodes.
