[AMBER] open mpi compiler error

From: Ayesha Fatima <ayeshafatima.69.gmail.com>
Date: Tue, 30 Nov 2021 10:50:38 +0300

Dear all,
I am installing amber 18 on the wsl2 ubuntu 20.04. My machine is ASUS AMD

 Previously I had successfully installed amber18 serial and parallel on
wsl1 Ubuntu 18.04. No issues were experienced.

I followed the
instructions and the serial was installed successfully. Make tests also ran
correctly as indicated on the website

To install parallel the command line is

cd $AMBERHOME/AmberTools/src/
tar xvf openmpi-4.0.1.tar.gz
./configure_openmpi -np $4 (I have 4 CPUS) gnu

i get this error:
Setting AMBERHOME to /mnt/d/amber_files/amber18

Architecture/compiler is not supported

Usage: ./configure_openmpi [flags] compiler

    where compiler is one of:

        gnu (=gcc/gfortran), intel (=icc/ifort), pgi (=pgcc/pgf90)

    Option flags:
      -static Create statically linked executables (not recommended for
      -np Number of processes for parallel Make
    Note: See http://www.open-mpi.org/software/ompi/v1.6/ for information
          on how to obtain openmpi.

 I checked the gcc, g++ and gfortran installed on my machine. They are
versions (Ubuntu 9.3.0-17ubuntu1~20.04) 9.3.0

I am unable to understand what is wrong except, there may be
incompatibility with Ubuntu 20.04.

I had similar issues with another machine Ubuntu 20.04 and parallelisation.
So I changed the machine.

Did anyone else have the same problem?

Thank you
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Received on Tue Nov 30 2021 - 00:00:02 PST
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