Hi Viktor,
OpenMPI 4 worked for me by using gcc 7 and including the
"--enable-mpi1-compatibility"
during compilation. gcc 8 is still not a supported compiler for CUDA afaik,
so you should use gcc 7 with amber anyway.
Hope it helps,
El jue., 14 feb. 2019 a las 19:36, viktor drobot (<linux776.gmail.com>)
escribió:
> Hello, dear AMBER developers and users!
>
> OpenMPI-4.0.0 released on 12.11.2018. This major update introduced
> long-waited removals and cleanups proposed almost 23 years ago. Because
> of this compilation of AmberTools ver. 18 (and, supposedly, 16 and
> earlier) is broken now. Just tested on GCC8 compilers suite and Arch
> Linux x64 (compilation with 3.1.3 version is fine). Due to deprecations
> in OpenMPI standard some MPI-enabled modules such as sander, mdgx and
> others are not able to be built.
>
> Some advices and possible fix-ups are described on FAQ page of OpenMPI
> project (https://www.open-mpi.org/faq/?category=mpi-removed) but finding
> and fixing things by hand is somewhat difficult and error-prone process,
> developers know their own code much better. I wonder to know can we hope
> that in nearest future some patches for AmberTools ver. 18 will be
> released?
>
> Thank you!
>
>
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>
--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
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Received on Thu Feb 14 2019 - 17:00:01 PST
