Re: [AMBER] error in parallel installation of Amber 12 with AmberTools13

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 17 Dec 2014 07:32:24 -0500

On Wed, Dec 17, 2014, Robin Jain wrote:

> make[2]: Entering directory
> `/home/vipin/CompiledSoft/Amber/amber12/AmberTools/src/etc'
> mpif90 -DMKL -DBINTRAJ -DMPI -o numprocs numprocs.F90
> mpif90: error while loading shared libraries: libimf.so: cannot open shared
> object file: No such file or directory

Just to add to the previous comment: looking at the output of "mpif90 -show"
is often helpful: it will tell you what the mpif90 wrapper is really doing
under the hood.

I suspect that your MPI installation is using intel compilers, rather than
gnu, and that they are not installed correctly. Make sure that you can
compile test MPI programs, since it is likely that this error has nothing to
do with Amber per se.

....dac


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Received on Wed Dec 17 2014 - 05:00:02 PST
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