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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Received on Wed Feb 08 2017 - 10:00:02 PST
