From: Maximilian Ebert (mebert_at_chemcomp.com)
Date: Thu Jun 20 2019 - 02:41:41 CDT
We have a 4 socket Intel Xeon E7-8890 v4 board with a total of 96 true and 192 logical cores. When I start NAMD 2.13 Win64 with 39 cores they are all used to 100%. When I switch to 40 they all idle at around 1-2% and the simulation starts being super slow. Any idea why? Do I need to have some sort of MPI because of the 4 sockets? But even then each socket has 24 true cores and 48 logical. Shouldn’t I be able to max ou the 48 (with hyper threading)? Please see attached two stdout. One for 39 cores the other for 40.
Thanks for any advice.
-- Chemical Computing Group | www.chemcomp.com <http://www.chemcomp.com> | 910-1010 Sherbrooke W., Montreal QC H3A 2R7, Canada | +1 514 393 1055 Manage Communications: www.chemcomp.com/Manage_Subscription.htm <http://www.chemcomp.com/Manage_Subscription.htm>
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:11 CST