Re: [AMBER-Developers] Looking for another volunteer--make a "fast" test suite?

From: Ross Walker <>
Date: Thu, 7 Sep 2017 11:44:06 +0200

Just a note from experience here. Be careful just shortening things since it can often have unexpected side effects. For example back in the days of Amber 7 there was an issue where the list builder was broken and it stayed that way for a long time because all the test cases were passing so it was assumed nothing was wrong. Turns out none of the tests were running long enough to actually trigger a list build. Took a long time to figure that out.

Just something to keep in mind.

All the best

> On Sep 6, 2017, at 19:33, David Cerutti <> wrote:
> One other thing we might do is have each of us go into our respective
> projects and ensure that the tests are running as efficiently as possible.
> For example, rather than 50 steps of MD printing every ten iterations, can
> the same quality assurance be got in ten steps printing every two
> iterations? For sander/pmemd, startup time is still a significant
> overhead, but shave 40% off many of the test cases and that'll take the
> edge off the problem. (Another thing to mention is that if your test needs
> 50 steps to monitor numbers with four places after the decimal and ensure
> the code is not subtly corrupted, a more sensitive metric needs to be
> devised to get at lower significant figures.) I think that part of the
> problem here is like pollution: each test contributing an extra few seconds
> goes a long way to making the suite as a whole bloated.
> Dave
> On Wed, Sep 6, 2017 at 12:14 PM, Daniel Roe <> wrote:
>> On Wed, Sep 6, 2017 at 10:30 AM, Jason Swails <>
>> wrote:
>>> My suggestion is to move from gitosis to a tool that implements a
>>> PR/CI-gating workflow like GitLab (which can be self-hosted). Disable
>>> pushing directly to master and make every change pass through a gated
>> pull
>>> request that enforces some level of quality before merging is permitted.
>> Yes, let's do this! But only once we've come up with a far more
>> compact test suite per DAC's previous request. The full test suite can
>> still be run nightly.
>> -Dan
>> --
>> -------------------------
>> Daniel R. Roe
>> Laboratory of Computational Biology
>> National Institutes of Health, NHLBI
>> 5635 Fishers Ln, Rm T900
>> Rockville MD, 20852
>> _______________________________________________
>> AMBER-Developers mailing list
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Received on Thu Sep 07 2017 - 03:00:03 PDT
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