Re: [AMBER] Fwd: Fw: Amber18 - MPI version error on HPC Cluster

From: David A Case <>
Date: Fri, 15 May 2020 10:46:18 -0400

On Fri, May 15, 2020, Sivanandam Magudeeswaran wrote:
>We purchased amber 18 Previous month. We have compiled Amber18 MPI version
>successfully but while we running the job we are getting the error, Please
>find the attached error information , compiler and MPI information. Please
>help us to install amber 18.

Just to piggy-back on what Gustaf said: have you run the parallel tests?
Have you looked at the bottom of the mdout file for any error message?
Have you run a (short) simulation of the same system with the serial
code, which sometimes give better error messages than does the parallel


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Received on Fri May 15 2020 - 08:00:02 PDT
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