Re: [AMBER-Developers] MPI Amber build is broken

From: Yinglong Miao <yinglong.miao.gmail.com>
Date: Tue, 7 Nov 2017 19:29:44 -0600

Thank you!

Yinglong


> On Nov 7, 2017, at 6:23 PM, Jamie Smith <jsmith.crackofdawn.onmicrosoft.com> wrote:
>
> I just re-ran the Amber Jenkins build, and it completed fine. It looks like the compile error is fixed, thanks!
>
> -----Original Message-----
> From: Yinglong Miao [mailto:yinglong.miao.gmail.com]
> Sent: Tuesday, November 7, 2017 3:18 PM
> To: David A Case <david.case.rutgers.edu>; AMBER Developers Mailing List <amber-developers.ambermd.org>
> Subject: Re: [AMBER-Developers] MPI Amber build is broken
>
> To keep you updated, I have added the missing argument my_atm_lst, which caused the problem as found by Jamie. I have also re-complied and tested the serial CPU, parallel CPU, serial GPU and parallel GPU versions with files in $AMBERHOME/test. They appeared to run normal with most comparisons PASSED.
>
> With that, I have just committed the new change. I will appreciate it if anyone else could double check, and see whether that fixes the build issue ...
>
> Thanks,
> Yinglong
>
> On Tue, Nov 7, 2017 at 7:23 AM, David A Case <david.case.rutgers.edu> wrote:
>
>> On Tue, Nov 07, 2017, Jamie Smith wrote:
>>>
>>> I’m not sure if anyone else noticed, but since Yinglong Miao’s merge
>>> of the new GaMD code, MPI PMEMD has been failing to build.
>>
>> I would say that anyone who knows how should revert the last four
>> commits, and let Yinglong work on the MPI problem. Commits to master
>> that break the build are real no-no's.
>>
>> One problem is that commit e8e399d5af7e349dda6ffe is a merge, and
>> reverting a merge commit requires more git experience than I have
>> (plus, I'm in Germany now, with minimal time to look at this.)
>>
>> I suppose if "my_atm_list" is not used/needed for GaMD, someone could
>> try to add in the argument. But this seems pretty dangerous: we need
>> to know for sure that GaMD works in pmemd.MPI
>>
>> ....dac
>>
>>
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Received on Tue Nov 07 2017 - 17:30:02 PST
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