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.
Charlie
________________________________________
From: Ucisik, Melek Nihan [ucisik.illinois.edu]
Sent: Friday, October 07, 2016 3:23 PM
To: AMBER Mailing List
Subject: [AMBER] AmberTools16 Installation with openMPI fails?
Hi,
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?
Thanks,
M. Nihan Ucisik
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Received on Fri Oct 07 2016 - 16:00:02 PDT
