Re: [AMBER] AmberTools20 parallel test errors

From: David A Case <>
Date: Thu, 25 Feb 2021 07:20:18 -0500

On Thu, Feb 25, 2021, Alain Arsene wrote:

> I am trying to install AmberTools20 in parallel on Cluster that works
> with CentOS 6 and OpenMPI.

Your logs indicate that you are accessing a (very old!) Intel MPI stack:

>"/opt/intel/composer_xe_2013.0.079/mpirt/bin/intel64/mpirun: line 96:
>/opt/intel/composer_xe_2013.0.079/mpirt/bin/intel64/ No such
>file or directory
>[mpiexec.celestina] HYDU_create_process (./utils/launch/launch.c:102):
>execvp error on file
>/opt/intel/composer_xe_2013.0.079/mpirt/bin/intel64/pmi_proxy (No such file
>or directory)"

It looks like you may be compiling with GNU compilers, but trying to use
an MPI stack from intel. Plus, the "no such file or directory" suggests
that you Intel installation may be broken.

Make sure that "which mpif90" and "which mpirun" (etc.) point to the proper
locations. It could be that you built with the compilers you want, but
got diverted to the Intel MPI code when running the tests.

...good luck...dac

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Received on Thu Feb 25 2021 - 04:30:02 PST
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