Hi Szilárd,
Thanks for the suggestion on removing that separate pme rank: 113 ns/day
instead of 90 ns/day. ;) This is running on pretty much a piece of
garbage and this performance is vs 320 ns/day on a much more powerful
box with four GPUs.
I am fine with the general concept of ranks being
On Mon, Jun 18, 2018 at 11:35 PM Alex wrote:
> Persistence is enabled so I don't have to overclock again.
Sure, makes sense. Note that strictly speaking this is not an "overclock",
but a manual "boost clock" (to use terminology CPU vendors use). Consumer
GPUs automatically scale their clock spe
Persistence is enabled so I don't have to overclock again. To be honest, I
am still not entirely comfortable with the notion of ranks, after reading
the acceleration document a bunch of times. Parts of log file below and I
will obviously appreciate suggestions/clarifications:
Command line:
gmx m
On Mon, Jun 18, 2018 at 2:22 AM, Alex wrote:
> Thanks for the heads up. With the K40c instead of GTX 960 here's what I
> did and here are the results:
>
> 1. Enabled persistence mode and overclocked the card via nvidia-smi:
> http://acceleware.com/blog/gpu-boost-nvidias-tesla-k40-gpus
Note that
Thanks for the heads up. With the K40c instead of GTX 960 here's what I
did and here are the results:
1. Enabled persistence mode and overclocked the card via nvidia-smi:
http://acceleware.com/blog/gpu-boost-nvidias-tesla-k40-gpus
2. Offloaded PME's FFT to GPU (which wasn't the case with GTX
Hi,
Regarding the K40 vs GTX 960 question, the K40 will likely be a bit
faster (though it'l consume more power if that matters). The
difference will be at most 20% in total performance, I think -- and
with small systems likely negligible (as a smaller card with higher
clocks is more efficient at s
Question: in the DD output (md.log) that looks like "DD step xx 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
So, swap, then? Thank you!
On Wed, Jun 13, 2018 at 4:49 PM, paul buscemi wrote:
> flops trumps clock speed…..
>
> > On Jun 13, 2018, at 3:45 PM, Alex 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 an
flops trumps clock speed…..
> On Jun 13, 2018, at 3:45 PM, Alex 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,
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 cloc
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