My bad ...
Thanks a lot for the remark !
Beatriz
--------------------------
Beatriz Guimarães
Laboratory of Structural Biology and Protein Engineering
Instituto Carlos Chagas - ICC / FIOCRUZ Paraná
Rua Prof. Algacyr Munhoz Mader, 3775 Bloco C
CIC 81350-010
Curitiba - PR, Brasil
Tel.:+55(41)3316-3225/2104-3438
________________________________
Subject: Re: [AMBER] Problems when running make test.parallel
Date: Tue, 12 Jan 2021 11:58:14 -0500
From: Daniel Roe <daniel.r.roe.gmail.com><mailto:daniel.r.roe.gmail.com>
Reply-To: AMBER Mailing List <amber.ambermd.org><mailto:amber.ambermd.org>
To: AMBER Mailing List <amber.ambermd.org><mailto:amber.ambermd.org>
Hi,
Looks like you misspelled 'mpirun' as 'mpinrun'. If you fix that,
things should hopefully work.
-Dan
On Tue, Jan 12, 2021 at 9:35 AM Beatriz Gomes Guimaraes
<beatriz.guimaraes.fiocruz.br><mailto:beatriz.guimaraes.fiocruz.br> wrote:
Dear Amber Users,
Me again, with a different problem...
Installation of the Amber20 serial version apparently was OK and then I tried to compile he parallel version following the manual.
Previously I had installed openmpi-bin and libopenmpi-dev and checked that I had mpicc and mpif90. I changed the run_cmake script (-DMPI=TRUE) and then run it, followed by make install.
The problems appeared when I tried make test.parallel, please see the attached log.
Many thanks for your help!
Beatriz
--------------------------
Beatriz Guimarães
Laboratory of Structural Biology and Protein Engineering
Instituto Carlos Chagas - ICC / FIOCRUZ Paraná
Rua Prof. Algacyr Munhoz Mader, 3775 Bloco C
CIC 81350-010
Curitiba - PR, Brasil
Tel.:+55(41)3316-3225/2104-3438
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AMBER mailing list
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http://lists.ambermd.org/mailman/listinfo/amber
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Received on Mon Jan 18 2021 - 11:00:02 PST
