On Fri, Apr 21, 2017, Mooers, Blaine H.M. (HSC) wrote:
> I installed amber17tools and amber16 on a Mac OS X 10.10 with macports python 2.7.13
>
> ./configure -mpi -macAccelerate --with-python /opt/local/bin/python
The key here is probably neither python nor pnetcdf, but MPI: which mpi
are you using?
> I got a warning about needing parallel netcdf, which is not in macports.
Sigh...we need to reword this. Most users will never need parallel netcdf
support, and cpptraj.MPI will build fine without it. But I agree that the
message currently emitted is not very clear about that.
>
> After passing 731 file comparisons, the following message was printed
> and the program hung for several hours.
> """
> Testing AMD with IPS
This is a serious problem, that was not encountered during our testing.
In addition to reporting on what mpi you are using, let us know what
your DO_PARALLEL environment variable was. We'll have to try to reproduce
this problem.
Thanks for the report....dac
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Received on Fri Apr 21 2017 - 19:00:03 PDT
