[AMBER] AmberTools16 Installation with openMPI fails?

From: Ucisik, Melek Nihan <ucisik.illinois.edu>
Date: Fri, 7 Oct 2016 22:23:44 +0000


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 - 15:30:02 PDT
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