Re: [AMBER] compilation aborted for ncsu-umbrella.F90 (code 1)

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 23 Oct 2012 09:19:01 -0400

What does

mpif90 -show

return? A concerning error (and I think possibly the source of all of your
errors) is this line in your erro file:

ncsu-umbrella.F90(9): error #7013: This module file was not generated by
any release of this compiler. [NETCDF]
use netcdf, only : nf90_double, nf90_float
----^

This suggests that the intel compiler you used to build in serial is NOT
the one used to build your MPI. This will cause problems, and you will
need to fix it.

To preempt a few questions perhaps: If you use the Intel compilers, you
CANNOT use the MPI that is distributed through your package manager (e.g.,
'apt-get install mpich2' will not work on Ubuntu here). You will need to
build your own MPI specifying the intel compilers. The configure_mpich2
and configure_openmpi scripts in $AMBERHOME/AmberTools/src/ directories are
here to help with this. See this webpage for details:
http://jswails.wikidot.com/installing-amber12-and-ambertools-12#toc10

Good luck,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Oct 23 2012 - 06:30:03 PDT
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