Re: [AMBER-Developers] request for Volunteers, part 2

From: Gerald Monard <Gerald.Monard.univ-lorraine.fr>
Date: Sun, 25 Mar 2018 18:22:30 +0200

On 03/25/2018 04:54 PM, Gerald Monard wrote:
>
>
> On 03/25/2018 04:51 PM, David A Case wrote:
>> On Sun, Mar 25, 2018, Gerald Monard wrote:
>>>
>>> I really have problems with Intel using the parallel version.
>>
>> Are you using the -intelmpi option?
>
> Yes.
> Now, I'm trying to use configure_openmpi (it's building openmpi-2.1.0
> right now) and I will test if I have better results.


Intel 2017 + openmpi 2.1.0 = nice: 1 fail, 2 errors (see pmwiki)
Intel 2018 + openmpi 2.1.0 = argh... better than with intelmpi but still
very bad:
Finished parallel test suite for Amber 18

       89 file comparisons passed
       56 file comparisons failed
       12 tests experienced an error

Summary of AmberTools parallel tests:

      807 file comparisons passed
      239 file comparisons failed
       12 tests experienced errors

G.

>
> Gerald.
>
>>
>> ...thanks for all your feedback....dave
>>
>>
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>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>

-- 
____________________________________________________________________________
  Prof. Gerald MONARD
  Directeur du mésocentre EXPLOR
  Université de Lorraine
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  F-54506 Vandoeuvre-les-Nancy, FRANCE
  e-mail : Gerald.Monard.univ-lorraine.fr
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Received on Sun Mar 25 2018 - 09:30:02 PDT
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