[gmx-users] GTX 960 vs Tesla K40

[Alex]

Question: in the DD output (md.log) that looks like "DD  step xxxxxx  pme
mesh/force 1.229," what is the ratio? Does it mean the pme calculations
take longer by the shown factor than the nonbonded interactions?
With GTX 960, the ratio is consistently ~0.85, with Tesla K40 it's ~1.25.
My mdrun line contains  -pmefft cpu (per Szilard's advice for weak GPUs, I
believe). Would it then make sense to offload the fft to the K40?

Thank you,

Alex

On Wed, Jun 13, 2018 at 4:53 PM, Alex <nedomacho at gmail.com> wrote:

> So, swap, then? Thank you!
>
>
>
> On Wed, Jun 13, 2018 at 4:49 PM, paul buscemi <pbuscemi at q.com> wrote:
>
>>  flops trumps clock speed…..
>>
>> > On Jun 13, 2018, at 3:45 PM, Alex <nedomacho at gmail.com> wrote:
>> >
>> > Hi all,
>> >
>> > I have an old "prototyping" box with a 4-core Xeon and an old GTX 960.
>> We
>> > have a Tesla K40 laying around and there's only one PCIE slot available
>> in
>> > this machine. Would it make sense to swap the cards, or is it already
>> > bottlenecked by the CPU? I compared the specs and 960 has a higher clock
>> > speed, while K40's FP performance is better. Should I swap the GPUs?
>> >
>> > Thanks,
>> >
>> > Alex
>> > --
>> > Gromacs Users mailing list
>> >
>> > * Please search the archive at http://www.gromacs.org/Support
>> /Mailing_Lists/GMX-Users_List before posting!
>> >
>> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>> >
>> > * For (un)subscribe requests visit
>> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/Support
>> /Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>
>
>