Hi everyone,
I have compiled amber16 and test again. However, some errors can be
found. The test.log file was attached below.
Thanks
jacky
2017-01-08 22:37 GMT+08:00 jacky zhao <jackyzhao010.gmail.com>:
> Thank you very much for your immediately reply. I have recompiled amber16
> with MPICH3.1.4, and passed all the test of amber. The
> Amber16_benchmark_suite is running. Although the performance of this amber
> version is still evaluating, the hfi error does not occur. After the
> benchmark has finished, I will attach it below:)
>
> Thank you for taking your time.
>
> Jacky
>
> 2017-01-08 21:25 GMT+08:00 David Case <david.case.rutgers.edu>:
>
>> On Sat, Jan 07, 2017, Ross Walker wrote:
>>
>> > ...better yet just download mpich and compile it yourself. E.g.
>>
>> Equivalent to what Ross suggests:
>>
>> cd $AMBERHOME/AmberTools/src
>> ./configure_mpich --help
>>
>> and follow the instructions. This is the recommended procedure to
>> install MPI
>> if you don't already have one that works, and if you don't have
>> specialized
>> interconnect hardware that needs something else.
>>
>> (And, of course, be sure you actually *need* pmemd.cuda.MPI.)
>>
>> ...dac
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Lei Zhao, Ph.D.
> International Joint Cancer Institute of the Second Military Medical
> University
> National Engineering Research Center for Antibody Medicine
> New Library Building 11th floor,800 Xiang Yin Road
> Shanghai 200433
> P.R.China
>
--
Lei Zhao, Ph.D.
International Joint Cancer Institute of the Second Military Medical
University
National Engineering Research Center for Antibody Medicine
New Library Building 11th floor,800 Xiang Yin Road
Shanghai 200433
P.R.China
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Received on Sun Jan 08 2017 - 22:30:03 PST
