Hi, Mirco.
2018-09-11 3:29 GMT+07:00 Wahab Mirco <mirco.wa...@chemie.tu-freiberg.de>:
>
> How would the 8600K perform without GPU (using the "-nb cpu"
> option on the mdrun binary)?
>
>
8600K with frequency 4600Mhz was used
Command line:
gmx mdrun -nb cpu
Core t (s) Wall t (s) (%)
Time: 1529.942 254.990 600.0
(ns/day) (hour/ns)
Performance: 169.419 0.142
Finished mdrun on rank 0 Wed Sep 12 02:29:41 2018
It may be interesting, the run with only 3 threads:
Command line:
gmx mdrun -nb cpu -nt 3
Core t (s) Wall t (s) (%)
Time: 1435.090 478.363 300.0
(ns/day) (hour/ns)
Performance: 90.308 0.266
Finished mdrun on rank 0 Wed Sep 12 02:44:50 2018
- a single R2-2700X possibly cannot always saturate TWO
> GTX-1080/1080Ti (maybe Szilárd Páll can add some rule of
> thumb whether and when it can),
>
> - due to AVX2_512, 6C/12T "Coffee Lake" i7 may be somehow faster than
> even 8C/16T Ryzen2 (at some scenarios significantly?)
>
Thank you, it's very helpful information.
> I can provide some performance numbers I got after updating
> Gromacs to v.2018.3 lately on our aging lab hardware.
>
> ==> (I can provide the input file if required) ==>
Yes, it will be great if you can provide some test results with input
file (maybe
it can help)
--
Best regards, Olga Selyutina
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