Re: [gmx-users] 2018: large performance variations

2018-03-05 Thread Szilárd Páll
'd also recommend the cuda-memtest tool (instead of the AFAIK outdated/unmaintained memtestG80). Cheers, -- Szilárd > > > > === Why be happy when you could be normal? > > > -- > *From:* Szilárd Páll > *To:* Discussion list for GROMACS use

Re: [gmx-users] 2018: large performance variations

2018-03-02 Thread Szilárd Páll
BTW, we have considered adding a warmup delay to the tuner, would you be willing to help testing (or even contributing such a feature)? -- Szilárd On Fri, Mar 2, 2018 at 7:28 PM, Szilárd Páll wrote: > Hi Michael, > > Can you post full logs, please? This is likely related to a known issue > wher

Re: [gmx-users] 2018: large performance variations

2018-03-02 Thread Szilárd Páll
Hi Michael, Can you post full logs, please? This is likely related to a known issue where CPU cores (and in some cases GPUs too) may take longer to clock up and get a stable performance than the time the auto-tuner takes to do a few cycles of measurements. Unfortunately we do not have a good solu

[gmx-users] 2018: large performance variations

2018-03-01 Thread Michael Brunsteiner
Hi,I ran a few MD runs with identical input files (the SAME tpr file. mdp included below) on the same computer with gmx 2018 and observed rather large performance variations (~50%) as in: grep Performance */mcz1.log7/mcz1.log:Performance:   98.510    0.244 7d/mcz1.log:Performance:  140