Re: [AMBER] AmberTools16 Installation with openMPI fails?

From: Charles Lin <>
Date: Fri, 7 Oct 2016 22:30:32 +0000

Check if your mpif90 and mpirun point to the right executables.

(which mpif90 and which mpirun).

You should theoretically be able to use the normal configure script for this.

From: Ucisik, Melek Nihan []
Sent: Friday, October 07, 2016 3:23 PM
To: AMBER Mailing List
Subject: [AMBER] AmberTools16 Installation with openMPI fails?


I am trying to install AmberTools using openMPI. I did have the openmpi-2.0.1 module loaded before I started with the installation, so I had mpicc and mpif90 in my path. I tried using the “configure_openmpi” script as suggested in the manual and it failed multiple times, so I tried tweaking it. The script advised me to have the openmpi directory also at $AMBERHOME/AmberTools/src, so I copied openmpi-2.0.1.tar.bz2 to there and extracted. I modified the configure_openmpi script in the line where “mpidirs” is defined. I ended up with this:

“./configure_openmpi: line 119: YACC=/opt/amber16/16.14/bin/yacc: No such file or directory
    openmpi configure failed, returning 127“

This made no sense to me because /opt/amber16/16.14/bin/yacc was there.

Then I removed the “$static” variable from line 119 of configure_openmpi and this is what I got:

"configure: error: /bin/sh config/config.sub failed
    openmpi configure succeeded.
    (You may need to add /opt/amber16/16.14/lib to your LD_LIBRARY_PATH)
make: *** No rule to make target `clean'. Stop.
make: *** No rule to make target `install'. Stop.”

So I am confused about this outcome because it says “error" in one line and “succeeded" in the next.

Could someone tell me if I am good to continue from this point? Did the configuration fail or succeed?


M. Nihan Ucisik
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Received on Fri Oct 07 2016 - 16:00:02 PDT
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