Re: [AMBER-Developers] Failures in the latest AT15 with bug fixes up to 15 applied

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 1 Sep 2011 10:59:06 -0400

On Thu, Sep 01, 2011, Mark Williamson wrote:
> >
> > I'm seeing the following failures in AT15 with all bug fixes up to 15
> > possible FAILURE: check hpv.top.dif
> > /home/mjw/code/AMBER/amber11/AmberTools/test/sleap/prmtop
> > 5c5
> > < 3128 14 1612 1542 3682 2090 6862 5296
> > 0 0
> > ---
> >> 3128 14 1612 1542 3682 2090 7082 5296
> > 0 0
> >
>
> An update: I think this may be linked to recent H1-CT-C -O fixes in
> parm{99,10}.dat . I think the related sleap saved test files on the
> at15-with-patches branch need updating with those already updated on the
> master (00ace221a451871221991a162705fa62b62003f3).
>
> On the master git branch:
> cd amber/AmberTools/test/sleap/prmtop
>
> mw529.cyclops:~/code/AMBER/git/amber/AmberTools/test/sleap/prmtop$ git
> status
> # On branch master
> nothing to commit (working directory clean)
>
> $ git diff master..at15-with-patches hpv.top.save
>
> index 57c21d8..2aeb1b4 100644
> --- a/AmberTools/test/sleap/prmtop/hpv.top.save
> +++ b/AmberTools/test/sleap/prmtop/hpv.top.save
> .@ -4,7 +4,7 @@
>
> %FLAG POINTERS
> %FORMAT(10I8)
> - 3128 14 1612 1542 3682 2090 7082 5296
> 0 0
> + 3128 14 1612 1542 3682 2090 6862 5296
> 0 0
> 17394 198 1542 2090 5296 33 42 42
> 14 0
>
> I think a solution would be to cherry pick
> 00ace221a451871221991a162705fa62b62003f3 over to at15-with-patches
> branch and then update the public at15 bugfix with this.

I'd say go ahead. I'm also cc-ing this to wei, since he doesn't generally
follow the mailing list discussions.

...thanks!...dave


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Received on Thu Sep 01 2011 - 08:00:04 PDT
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