Re: [gmx-users] Running two separate mdrun instances on a single workstation

2015-09-18 Thread Szilárd Páll
Hi, pinoffset 0 and 16 should be correct, these should place threads on what's shown as "CPU" idx 1-8,17-24 and 9-16,25-32, resp. Cheers, -- Szilárd On Fri, Sep 18, 2015 at 11:59 AM, Deva Priya wrote: > Hello gmx users, > > I have a two-socket (8 physical cores each, and with hyperthreading 3

[gmx-users] Running two separate mdrun instances on a single workstation

2015-09-18 Thread Deva Priya
Hello gmx users, I have a two-socket (8 physical cores each, and with hyperthreading 32 cores system) with 2 gpus. I want to run two independent simulations using 16 threads and a single GPU. I tried the -pin on and -pinoffset 0 for the first instance of mdrun and -pin on and -pinoffset 8 for th