On 10.09.2018 21:15, Olga Selyutina wrote:
>>
>>
>> (500000 ts instead of 5000 ts, otherwise it's too fast)
>>
>>
>> That would be a factor of about 227!
>
>
> On an available machine (not used for simulations)
> self-compiled 2018.3, CUDA 9.1
> the similar result, factor is about 136:
>
> Working dir: /home/user/dev/gromacs/gmxbench-3.0/d.poly-ch2
> Command line:
> gmx mdrun -ntmpi 1 -nt 6
>
> Running on 1 node with total 6 cores, 6 logical cores, 1 compatible GPU
> Hardware detected:
> CPU info:
> Vendor: Intel
> Brand: Intel(R) Core(TM) i5-8600K CPU @ 3.60GHz
>
> GPU info:
> Number of GPUs detected: 1
> #0: NVIDIA GeForce GTX 1050 Ti, compute cap.: 6.1, ECC: no, stat:
> compatible
>
> On 1 MPI rank, each using 6 OpenMP threads
>
> Core t (s) Wall t (s) (%)
> Time: 1102.853 183.809 600.0
> (ns/day) (hour/ns)
> Performance: 235.027 0.102
> Finished mdrun on rank 0 Tue Sep 11 01:53:36 2018
How would the 8600K perform without GPU (using the "-nb cpu"
option on the mdrun binary)?
The Ryzen 1700X does the following (-nb cpu):
Core t (s) Wall t (s) (%)
Time: 4886.335 305.396 1600.0
(ns/day) (hour/ns)
Performance: 141.456 0.170
Finished mdrun on rank 0 Mon Sep 10 22:21:40 2018
That's still a factor 82 compared to Bratin Kumar's
setup.
M.
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