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

From: Yinglong Miao <>
Date: Tue, 7 Nov 2017 17:18:18 -0600

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

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


On Tue, Nov 7, 2017 at 7:23 AM, David A Case <> 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 - 15:30:02 PST
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