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,
too.
Here's the PATH. I always source amber.sh It is attached, too.
[root.KWFPrimary build]# echo $PATH
/root/amber_i/amber20/bin:/opt/MegaRAID/storcli:/usr/local/cuda-11.4/bin:/ro
ot/ORCA5:/usr/local/bin/vmd:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bi
n:/root/bin
Thanks for the help.
Jim
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-----Original Message-----
From: David A Case <dacase.chem.rutgers.edu>
Sent: Sunday, August 22, 2021 8:40 PM
To: jimkress_58.kressworks.org; AMBER Mailing List <amber.ambermd.org>
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.
...dac
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- application/octet-stream attachment: run_cmake
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Received on Sun Aug 22 2021 - 18:30:02 PDT
