>>Any ideas what happened? It seems to be a small block of
>> text in the header of the mdout file and then some (significant)
>> differences in the last frame...
>OK, on it...
>Should be easy to trace the diffs.
OK fixed.
On 13/02/2014, Josh Berryman <the.real.josh.berryman.gmail.com> wrote:
>>>Any ideas what happened? It seems to be a small block of
>>> text in the header of the mdout file and then some (significant)
>>> differences in the last frame...
>
> OK, on it...
>
> Should be easy to trace the diffs.
>
> Josh
>
>
> On 12/02/2014, Jason Swails <jason.swails.gmail.com> wrote:
>> Hi Josh,
>>
>> I think a lot of the pmemd TI tests are failing as a result of your
>> recent commit. If I back my tree up to
>> e1d5f28d18a0ab40a332cf58e0c1db83848a0753 (right before your commits)
>> then all of the tests pass. If I use the current HEAD, I get the
>> following diffs (attached). They seem to be both numerical and
>> formatting. Any ideas what happened? It seems to be a small block of
>> text in the header of the mdout file and then some (significant)
>> differences in the last frame...
>>
>> For reference, I'm using the Intel compilers version 13.1.3 on an AMD
>> machine.
>>
>> Thanks!
>> Jason
>>
>> P.S. The attached file contains all of the diffs from both sander and
>> pmemd-non-TI, but the TI ones are in there closer to the end.
>>
>> On Wed, 2014-02-12 at 08:40 +0100, Josh Berryman wrote:
>>
>>> Erm, I've got a big-ish emil commit that integrates Joe Kaus's emil_sc
>>> work as well as tidying up the i/o (hence the docs and all emil test
>>> cases are altered) and fixing a bug.
>>>
>>> cruisecontrol is green at the moment, so I will probably have pushed
>>> by the time the sun rises in California.
>>>
>>>
>>>
>>>
>>> On 11/02/2014, Ross Walker <ross.rosswalker.co.uk> wrote:
>>> > Yeah this is actively being worked on right now (by several people all
>>> > in
>>> > the same room) - hence the mutual problem with us all trying to do
>>> > things
>>> > last minute. :-(
>>> >
>>> >
>>> > On 2/11/14, 2:19 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
>>> >
>>> >>
>>> >>
>>> >>> On Feb 11, 2014, at 5:05 PM, Ross Walker <ross.rosswalker.co.uk>
>>> >>> wrote:
>>> >>>
>>> >>> Test Cases???
>>> >>>
>>> >>> And does this work with TI? What about IPS? - Don't see any
>>> >>> protections
>>> >>> for that.
>>> >>>
>>> >>> get_nb_energy.i, pairs_ips_calc.i and pairs_calc.i are about to get
>>> >>> a
>>> >>> massive overhaul so without any test cases there is no guarantee
>>> >>> this
>>> >>> addition will be working afterwards.
>>> >>
>>> >>It's all coming. It was about to get merged (test cases, GPU checks,
>>> >>everything) and then you ripped out a ton of code and that got
>>> >> buggered
>>> >>(sound emil-iar?). Pengfei is adding it back piece at a time and I'll
>>> >>move over the test cases tonight.
>>> >>
>>> >>_______________________________________________
>>> >>AMBER-Developers mailing list
>>> >>AMBER-Developers.ambermd.org
>>> >>http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >
>>> >
>>> >
>>> > _______________________________________________
>>> > AMBER-Developers mailing list
>>> > AMBER-Developers.ambermd.org
>>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>>> >
>>>
>>> _______________________________________________
>>> AMBER-Developers mailing list
>>> AMBER-Developers.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
>>
>
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Received on Thu Feb 13 2014 - 04:30:02 PST
