Re: [AMBER-Developers] why are all the pmemdTI tests failing?

From: Josh Berryman <the.real.josh.berryman.gmail.com>
Date: Thu, 18 Dec 2014 14:21:24 +0100

More config, sorry for double post:

gcc 4.63
mpirun (Open MPI) 1.4.3






On 18 December 2014 at 14:18, Josh Berryman <
the.real.josh.berryman.gmail.com> wrote:

> Fresh checkout is fine for me.
>
> configure is: GNU, openMPI.
> machine is: 64 bit ubuntu, intel CPUs.
>
> from an output file:
> (test/pmemdTI/softcore/electro/out.o)
>
> | Conditional Compilation Defines Used:
> | PUBFFT
> | BINTRAJ
> | EMIL
>
> Josh
>
>
>
>
> On 18 December 2014 at 13:41, David A Case <case.biomaps.rutgers.edu>
> wrote:
>
>> I'm hoping someone can look into this: for me, all the pmemdTI tests are
>> failing. The jobs run fine, but the final breakdown of DV/DL into pieces
>> (section headed "DV/DL, AVERAGES OVER n STEPS") gives all zeroes.
>>
>> This on the master branch, and a Mac with gcc 4.9. If it works for you on
>> some other platform, please post info, since that would be a help. Or, if
>> there is someone more familiar with the code than I am, that would also be
>> great.
>>
>> In general, we need to start cleaning up the test cases, in preparation
>> for
>> the upcoming developers' meeting. There are also test failures (at least
>> for
>> me) in the ti_decomp sander tests and the softcore/dnylmb tests.
>>
>> ...thx...dac
>>
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
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Received on Thu Dec 18 2014 - 05:30:07 PST
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