Yes, I was expecting a little more from A5000, they are running OK though.
Thanks a lot for link!
Fabian
--------------------------
Fabian Glaser, PhD
Structural and Computational Biology Unit
The Lorry I. Lokey Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa, Israel
> On 5 Apr 2022, at 17:42, Stephan Schott <schottve.hhu.de> wrote:
>
> Hi Fabian,
> Your performance seems to be in the expected range. Here you can compare
> recent cards:
> https://www.exxactcorp.com/blog/Molecular-Dynamics/rtx3090-benchmarks-for-hpc-amber-a100-vs-rtx3080-vs-2080ti-vs-rtx6000
> Cheers,
>
> Stephan Schott Verdugo
> Biochemist
>
> Heinrich-Heine-Universitaet Duesseldorf
> Institut fuer Pharm. und Med. Chemie
> Universitaetsstr. 1
> 40225 Duesseldorf
> Germany
>
>
> El mar, 5 abr 2022 a las 15:26, Fabian Glaser (<fabian.glaser.gmail.com>)
> escribió:
>
>> Dear experts,
>>
>> I have recently purchased a new machine with NVIDIA RTX A5000, and when I
>> compare the performance (identical system) with my older machine with
>> GeForce RTX 2080 Ti, the improvement is just about 20% ns x day. My system
>> of 143727 atoms runs about 140ns / day for the 2080Ti and 170ns for the
>> A5000 (both with dt=0.004)
>>
>> Is that a reasonable performance?
>> I compiled with the cmake defaults (after some tweaks and some work I have
>> to say), is there a better way to compile cuda 11.04 with pmemd.cuda that
>> will run faster?
>>
>> Thanks a lot!
>>
>> Fabian
>>
>>
>>
>> --------------------------
>> Fabian Glaser, PhD
>>
>> Structural and Computational Biology Unit
>> The Lorry I. Lokey Center for Life Sciences and Engineering
>> Technion - Israel Institute of Technology, Haifa, Israel
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 05 2022 - 23:00:03 PDT
