Re: [AMBER] Problem during parallel installation

From: David A Case <>
Date: Tue, 19 Feb 2019 08:50:49 -0500

On Tue, Feb 19, 2019, Sunita Patel wrote:
>I am trying to install amber12 to extend my earlier ran simulations. I am
>having problem during parallel installation. Pls have a look on the error
>Openmpi-4.0.0 is installed and path is already set.

OpenMPI version 4 removed a lot of mpi version 1 commands, and hence
broke lots of programs. We're still trying to get current versions of
Amber to compile correctly with this MPI, and almost certainly will
never try to back-port these to Amber12.

Two options: (a) use an earlier version of OpenMPI, say 3.0.3; (b)
re-build OpenMPI4 with the --enable-mpi1-compatibility flag.

...good luck...dac

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Received on Tue Feb 19 2019 - 06:00:03 PST
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