On Mon, Mar 23, 2020, Kosuke Tachibana wrote:
>
>I have some possible failures and errors when I did "make test" for a
>parallel (MPI) version of Amber18/AmberTools19.
Have you applied all updates? Run "$AMBERHOME/update_amber --help" and
follow the instructions.
The parallel tests were designed to PASS for 2 and 4 MPI threads, so you
might try that. But some of your diffs look like changes in output
formatting, which led me to ask about updates. Others may have better
answers here.
And, if you are not planning to run implicit solvent constant pH REMD
calculations, you can ignore the problem.
>
>The similar problem was reported by Zoran, which were posted to the
>Amber Mailing List on February 5 2020.
>(archive.ambermd.org/202002/0055.html)
>However, I could not find any answers for the problem in this post.
>
Sorry that the older post didn't get resolved. cc-ing to Vinicius in
case he has ideas here.
....dac
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Received on Mon Mar 23 2020 - 07:00:02 PDT
