On Tue, Aug 21, 2012 at 5:39 PM, Qian Wang <qwang.mail.uh.edu> wrote:
> Hi,
>
> if I type echo $MPI_HOME, it displays:
> /usr/lib64/openmpi
>
> if I changed #include 'mpif.h' to include 'mpif.h' in nose_hoover.f, then
> the same error will come out for qmmm_module.f:
> qmmm_module.f:501:0: fatal error: mpif.h: No such file or directory
> compilation terminated
>
Then do the same thing in qmmm_module.f (and every other file that has that
error).
>
> Sincerely,
> Qian
>
> ----- Original Message -----
> From: Jason Swails <jason.swails.gmail.com>
> Date: Tuesday, August 21, 2012 4:19 pm
> Subject: Re: [AMBER] amber10 install (mpi)
> To: AMBER Mailing List <amber.ambermd.org>
>
> > On Tue, Aug 21, 2012 at 5:11 PM, Qian Wang
> > <qwang.mail.uh.edu> wrote:
> >
> > > Hi,
> > >
> > > I am a user of Amber10. When I install the mpi version of
> > sander using the
> > > following steps:
> > > ./configure_amber -openmpi gfortran
> > > make parallel
> > > I got the following error:
> > > cpp -traditional -I/usr/lib64/openmpi/include -P -xassembler-
> > with-cpp
> > > -Dsecond=ambsecond -DBINTRAJ -DMPI nose_hoover.f >
> > _nose_hoover.f> nose_hoover.f:455:0: fatal error: mpif.h: No
> > such file or directory
> > > compilation terminated
> > >
> > > When I type mpif90 -show, it displays:
> > > gfortran -I/usr/include/openmpi-x86_64 -pthread -m64
> > > -I/usr/lib64/openmpi/lib -L/usr/lib64/openmpi/lib -lmpi_f90 -
> > lmpi_f77 -lmpi
> > > -ldl
> > >
> > > Could any help me solve the problem? Thanks a lot.
> > >
> >
> > Have you set MPI_HOME?
> >
> > What does "echo $MPI_HOME" return?
> >
> > Alternatively, you can edit nose_hoover.f and change
> > #include 'mpif.h'
> >
> > to
> >
> > include 'mpif.h'
> >
> > (that is, get rid of the hash).
> >
> > HTH,
> > Jason
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> _______________________________________________
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Aug 21 2012 - 15:30:03 PDT
