Hello David
After trying to squeeze in tests and compiles while hosting a workshop I was just finishing up with the gcc compilation with openmpi-2.1.0 tonight when I was notified about the major version update to amber19 being available. So tomorrow I’ll be back to square one and starting fresh with AT2019 and potentially with new and exciting questions.
Best regards
// Gustaf
> On 26 Apr 2019, at 15:48, David A Case <david.case.rutgers.edu> wrote:
>
> On Thu, Apr 25, 2019, Gustaf Olsson wrote:
>
>> So the current version of openmpi is 4.0.1, the example suggests 1.8.8
>> which is no longer supported.
>
> Ouch: I thought I had fixed that, but probably only in the development
> version (which should be released today(??!!??). The configure_openmpi
> there supports versions 2 through 4, and the example is 4.0.0.
>
> We only support openMPI 4 with the --enable-mpi1-compatibility flag.
> We are close to not needing this flag (which will be removed in future
> versions of openmpi), but there is still one troublesome glitch. The
> plan (hope) is to have this fixed by the time openmpi actually disables
> the backwards-compatibility flag.
>
> Sorry to continually ask you to be patient. There have been a flurry of
> updates in preparation for AmberTools19, and very few of them have been
> (or ever will be) back-ported to AmberTools18.
>
> ....dac
>
>
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Received on Fri Apr 26 2019 - 23:00:02 PDT
