Hi, Sudhakar
It seems that the nfe code has problem with the MPT, since Openmpi and
mpich don't report these errors.
But it is kind of weird that it said
Common block member ‘mpi_bottom’ at (1) cannot be an EQUIVALENCE
object in the pure procedure ‘f6_12_value’
yet I don't use the variable mpi_bottom in nfe codes.
I want to do tests on MPT but I don't have access to it and I didn't find a
way to install it on google. Could you give me a way to use it to do tests?
Thank you
Best
Feng
On Wed, Feb 8, 2017 at 12:56 PM, Sudhakar Lakkaraju <slakkaraju.asc.edu>
wrote:
> AMBER16 gets compiled with OpenMPI 1.10.2 with gcc/6.1.0 on RHEL 7.3.
>
> MPT is an implementation of MPI on SGI ultraviolet machine.
>
> My gfortran --version
> GNU Fortran (GCC) 6.1.0
>
> Is it possible to turn off "nfe" capability?
>
>
>
> On Feb/8/2017 9:42 AM, David Case wrote:
> > On Wed, Feb 08, 2017, Sudhakar Lakkaraju wrote:
> >> I'm trying to compile Amber16 with MPT/2.15 and GCC/6.1.0 on RHEL 7.3.
> > I'm thinking that no one has ever tried this before, particularly on
> > the recently-added "nfe" capability, which was added to Amber last
> > July. Can you try an MPI implementation like mpich or openmpi (see
> > $AMBERHOME/AmberTools/src/configure_mpich or configure_openmpi)?
> >
> > Can you say where the MPT implementation came from? (Is it a standard
> > package on RHEL 7?) And, is your gfortran also at version 6.1.0?
> >
> > Note to other developers: this problem is in the pmemd version, not the
> sander
> > version.
> >
> >
> >> Error: Common block member ‘mpi_status_ignore’ at (1) cannot be an
> >> EQUIVALENCE object in the pure procedure ‘pythag’
> >> nfe_colvar.F90:9994:7:
> >>
> >> use nfe_lib_mod
> > ...dac
> >
> >
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>
--
Feng Pan
Ph.D. Candidate
North Carolina State University
Department of Physics
Email: fpan3.ncsu.edu
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Received on Thu Feb 09 2017 - 08:30:02 PST
