[gmx-developers] automated performance testing

Roland Schulz roland at utk.edu
Fri Oct 17 02:57:06 CEST 2014


On Thu, Oct 16, 2014 at 7:27 PM, Szilárd Páll <pall.szilard at gmail.com>
wrote:

> Hi,
>
> There have been attempts at putting together a benchmark suite, the
> first one quite a few years ago resulting in the gmxbench.sh script
> and few input systems; more additions have been made a couple of
> months ago, everything is here: git.gromacs.org/benchmarks.git


I get
fatal: remote error: access denied or repository not exported:
/benchmarks.git

Is this not yet readable to all developers? Any reason this isn't in gerrit?

Roland


>
>
> On Tue, Sep 30, 2014 at 6:22 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
> > Hi,
> >
> > Cherry-picking Michael's email into its own thread:
> >
> >> Is there a plan (long term) to do (essentially) automated performance
> >> tests so that we
> >> can perform consistent(ish) checks for new changes in code, then post
> the
> >> results in an
> >> easy(ish) way to interpret for others?
> >
> > There's no organized plan.  I've lately been trying to organize a
> dedicated
> > machine here so we can start to do some of this - had we had it and the
> > right kinds of tests then various bugs would not have gone unnoticed.
>
> While a machine is useful, I think the what and how to benchmarks are
> to clarify first; given the difficulties in concretizing the benchmark
> setup in the past, these aspects require attention earlier rather than
> later, I think. Some of the questions that previous attempts brought
> up:
> - facilitate comparing results (to other codes or older version of
> GROMACS) while avoiding the pitfall of using of "smallest" common
> denominator features/algorithms (like JACC or the STFC benchmarks);
> - test algorithms or functionality: one may be interested in the
> algorithmic performance while others want to know how fast can one
> compute X.
>
> > In
> > principle, people could run that test suite on their own hardware, of
> > course.
>
> I think the best would be if many people ran on many different hardware.
>
> However, I think reproducibility is quite tricky. It can only be
> ensured if we get a couple of identical machines, set them up with
> identical software and avoid most upgrades (e.g. kernel, libc[++],
> etc.) that can affect performance, keeping a machine as backup to
> avoid having to rerun all reference runs when the hardware breaks.
> Even this will only ensure observing performance on one particular
> piece of hardware with the set of algorithms, parallelization,
> optimizations actually used.
>
> > One option I've been toying with lately is dumping the mdrun performance
> > data matrix to XML (or something) so that some existing plotting
> machinery
> > can show the trend over time (and also observe a per-commit delta large
> > enough to vote -1 on Jenkins).
>
> Isn't per commit is an overkill an ill-scaling setup? I think it's
> better to do less frequent (e.g. weekly) and per-reqeust performance
> regression tests. Proper testing anyway requires running dozens of
> combinations of input+launch configurations on several platforms. It's
> not a fun task, I know because I've been doing quite extensive
> performance testing semi-manually.
>
> --
> Szilárd
>
> > I also mean to have a poke around with
> > http://www.phoromatic.com/ to see if maybe it already has
> infrastructure we
> > could use.
> >
> > Mark
> >
> > --
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