I have now tried the alternate suggestion on the install page:
"One recommendation is to download a recent version of OpenMPI at
open-mpi.org, untar the distribution in amber20_src/AmberTools/src, and
execute in that directory the configure_openmpi script. (Do this after you
have done a serial install, and have sourced the amber.sh script in the
installation folder to create an AMBERHOME environment variable.)"
Cmake still refuses to acknowledge MPI and make install fails to produce any
MPI files.
Is there a fix for this?
Thanks.
Jim
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
"ENGINEERING THE CURE" C
(248) 573-5499
Learn More and Donate At:
Website: http://www.kressworks.org
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-----Original Message-----
From: James Kress <jimkress_58.kressworks.org>
Sent: Sunday, August 22, 2021 12:56 PM
To: 'AMBER Mailing List' <amber.ambermd.org>
Subject: run_cmake with -DMPI=TRUE fails to produce MPI version of Amber20
I have OpenMPI 4.1.1 installed on my RHEL 8.4 system per the instructions
from the OpenMPI organization. It works perfectly with every other
application.
I have installed Amber21 tools and Amber20 - both in serial mode. All tests
are passed.
However, when, following the instructions on page 25 in the Amber21 manual I
try to install the MPI version of Amber 20, run_cmake refuses to recognize
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.
Subsequent runs of make install produce no MPI versions of anything.
I can find nothing in the install directions or the mailing list archive
that addresses this issue.
What am I doing that is incorrect?
Thanks for any help.
Jim
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation "ENGINEERING
THE CURE" C
(248) 573-5499
Learn More and Donate At:
Website: http://www.kressworks.org
Confidentiality Notice | This e-mail message, including any attachments, is
for the sole use of the intended recipient(s) and may contain confidential
or proprietary information. Any unauthorized review, use, disclosure or
distribution is prohibited. If you are not the intended recipient,
immediately contact the sender by reply e-mail and destroy all copies of the
original message.
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Received on Sun Aug 22 2021 - 14:00:02 PDT
