Hi,
In my opinion you may want to use a different MPI distribution, or at
least an earlier (v 3.x) version of OpenMPI. OpenMPI 4 changed a lot
of things, and I don't think Amber is 100% compatible with it yet.
-Dan
On Fri, Jun 21, 2019 at 5:28 AM Albert <mailmd2011.gmail.com> wrote:
>
> do you have further suggestions?
>
> thanks a lot.
>
> On Thu, Jun 20, 2019 at 2:39 PM Albert <mailmd2011.gmail.com> wrote:
>
> > The CPU MPI compiling is all right.
> >
> > I am using openmpi-4.0.1+gfortran-7
> >
> > > mpif90 -show
> > gfortran -I/soft/openmpi-4.0.1/include -pthread
> > -I/soft/openmpi-4.0.1/lib64 -Wl,-rpath -Wl,/soft/openmpi-4.0.1/lib64
> > -Wl,--enable-new-dtags -L/soft/openmpi-4.0.1/lib64 -lmpi_usempif08
> > -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi
> >
> > thanks again.
> >
> >
> > On Thu, Jun 20, 2019 at 7:49 AM David Case <david.case.rutgers.edu> wrote:
> >
> >> On Thu, Jun 20, 2019, Albert wrote:
> >> >
> >> >./configure -mpi -cuda gnu
> >> >
> >> >make[2]: Entering directory '/soft/amber18/AmberTools/src/etc'
> >> >mpif90 -DBINTRAJ -DEMIL -DMPI -o numprocs numprocs.F90
> >> >mpif-sizeof.h:66:41:
> >> >
> >> >Error: Array specification at (1) has more than 7 dimensions
> >> >mpif-sizeof.h:72:41:
> >> >
> >> >Error: Array specification at (1) has more than 7 dimensions
> >> >mpif-sizeof.h:78:41:
> >> >
> >> >Error: Array specification at (1) has more than 7 dimensions
> >> >mpif-sizeof.h:84:41:
> >> >
> >> >Error: Array specification at (1) has more than 7 dimensions
> >> >mpif-sizeof.h:90:41:
> >> >
> >> >Error: Ambiguous interfaces in generic interface 'pmpi_sizeof' for
> >> >‘pmpi_sizeof_real64_r14’ at (1) and ‘pmpi_sizeof_real64_r15’ at (2)
> >>
> >> What version of MPI are you running? What version of gfortran?
> >> And, what does 'mpif90 -show' return?
> >>
> >> ....thanks...dac
> >>
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> >>
> >
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Received on Fri Jun 21 2019 - 12:00:02 PDT
