[gmx-users] Running Gromacs in parallel with fftw

Peter C. Lai sirmoo at cowbert.2y.net
Thu May 26 23:58:20 CEST 2005

On Thu, May 26, 2005 at 04:35:50PM -0300, Lin Zhen wrote:
> Dear all,
>     I am trying to running Gromacs in parallel, so I configure it with
> --enable-mpi, it always shows the error message:
> checking for srfftw.h... yes
> checking for sfftw_mpi.h... no
> configure: error: Cant find sfftw_mpi.h header. Make sure all your
> fftw prefixes match - we already use sfftw.h
> But we have installed sfftw_mpi.h in the same folder as srfftw.h,
> don't know why it couldn't find it.

does it fail when looking for mpicc? Make sure the path to mpicc is
in your path before you start the configure

Peter C. Lai
University of Connecticut
Dept. of Molecular and Cell Biology
Yale University School of Medicine
SenseLab | Research Assistant

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