Hello David, thank you for your fast answer.
Yes we have do make.test and we obtain:
3 file comparisons failed
1 tests experienced errors
Is this an error?, there is any way to correct this?
Bests.
El vie, 14-09-2018 a las 08:53 -0400, David A Case escribió:
> On Fri, Sep 14, 2018, Asier Zorrilla wrote:
> >
> > Our users have test a data set with Amber (same version Amber and
> > Amber_tools) in two machines but they obtain two diferent results.
> >
> > - There is any way (beyond benchmark test) to verify that the
> > installation is ok and that the obtained values are fiable?
>
> You should run "make test" in the $AMBERHOME directory (if you have
> not
> already done so). This tests correctness of the installation in ways
> that the benchmarks do no.
>
> >
> > - Tested two systems have a GPU, both of them certified by you (GTX
> > 1080 and GTX TITAN), is posible that the diferent results can be
> > explained with this?
>
> We would need to know whether the "different results" only show up on
> GPU runs, or on other types of tests. If you are running the
> (default)
> pmemd.cuda (which uses the SPFP precision model), then it is likely
> that
> GTX 1080 and GTX Titan will give different results.) More details
> are
> available here:
>
> http://ambermd.org/GPULogistics.php#Accuracy
>
> ....dac
>
Center of Excellence Severo Ochoa (2017-2021)
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Received on Mon Sep 17 2018 - 01:30:01 PDT
