Re: [AMBER] run_cmake with -DMPI=TRUE fails to produce MPI version of Amber20

From: James Kress <>
Date: Sun, 22 Aug 2021 21:15:31 -0400

Hi David,

I noticed the two sections in the run_cmake file.

I've attached the files. They are for the failed CUDA attempt.

I attached the console output, cmake.log and run_cmake for the MPI case,

Here's the PATH. I always source It is attached, too.

[root.KWFPrimary build]# echo $PATH

Thanks for the help.


James Kress Ph.D., President
The KressWorksR Institute
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-----Original Message-----
From: David A Case <>
Sent: Sunday, August 22, 2021 8:40 PM
To:; AMBER Mailing List <>
Subject: Re: [AMBER] run_cmake with -DMPI=TRUE fails to produce MPI version
of Amber20

On Sun, Aug 22, 2021, James Kress wrote:

>the -DMPI=TRUE flag setting. When I edit run_cmake and set
>-DMPI=TRUE, save the file and then do the ./run_cmake it tells me that MPI
is OFF.

Can you post your run_cmake file? Note that the sample run_cmake script has
both OSX and Linux sections: be sure you are modifying the correct one.

Posting the cmake.log file might also help in tracking down the problem.


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Received on Sun Aug 22 2021 - 18:30:02 PDT
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