Re: [AMBER-Developers] nofftw3 and MKL

From: David A Case <>
Date: Sat, 18 Oct 2014 11:32:52 -0400

On Fri, Oct 17, 2014, Andreas Goetz wrote:
> To add to this discussion, the current master fails to configure fftw3
> if Intel MPI is used. I am not familiar with fftw3 so have not spent
> time trying to fix this. The -nofftw3 flag, though, came in handy.
> Configuring fftw-3.3 (may be time-consuming)...
> Error: FFTW configure returned 1
> FFTW configure failed! Check the fftw3_config.log file
> in the /server-home1/agoetz/sources/AMBER/ directory.

> $> tail AmberTools/src/fftw3_config.log
> checking whether stripping libraries is possible... yes
> checking if libtool supports shared libraries... yes
> checking whether to build shared libraries... yes
> checking whether to build static libraries... yes
> checking for ocamlbuild... no
> checking for mpicc... mpicc
> checking for MPI_Init... no
> checking for MPI_Init in -lmpi... no
> checking for MPI_Init in -lmpich... no
> configure: error: could not find mpi library for --enable-mpi

I've used intel MPI, but with an earlier version of the compilers.
What is the result of "which mpicc" and "mpicc -show"? Any chance that this
is a problem with your LD_LIBRARY_PATH (so that fftw is not finding -lmpi,
or not finding the correct -lmpi?


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Received on Sat Oct 18 2014 - 09:00:02 PDT
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