On Tue, Nov 4, 2014 at 2:46 PM, Gerald Monard <
Gerald.Monard.univ-lorraine.fr> wrote:
> Hello,
>
> I'm trying to build AmberTools and especially sander in parallel with
> the lastest master git tree and I have the following error:
>
> /usr/bin/ld: cannot find -lfftw3_mpi
>
> More precisely:
> mpif90 -DBINTRAJ -DEMIL -DMPI -fPIC -ffree-form -I../pbsa -I../sqm
> [...]/amber14-git/amber-master/lib/libnetcdf.a \
> -lfftw3_mpi -lfftw3 -larpack -llapack -lblas
>
> /usr/bin/ld: cannot find -lfftw3_mpi
> collect2: ld returned 1 exit status
>
> I have checked a little and it seems that libfftw3_mpi.a is not built at
> configure time (as it should?).
> I have also checked the dashboard to see whether I was the only one
> having this problem but it seems the cruise control has not built amber
> for about one month.
>
> The -nofftw3 configure option solves the problem of course, but it is
> not the default for configure.
>
> If needed, I can dig into AmberTools/src/configure2 and change things
> but I guess that some of you are more aware of how it is written and how
> it should be modified.
>
Should be fixed now. I still don't like the solution that much, though.
The only program that uses libfftw3_mpi is RISM, and that doesn't even get
built by default in parallel(!) The better solution would be to _not_ try
to link libfftw3_mpi where it isn't used (which would be everywhere except
RISM, NAB, and sander IFF RISM-MPI is requested).
Thanks,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Nov 04 2014 - 13:00:02 PST
