On Mon, Feb 26, 2018, Maria Clelia Milletti wrote:
>
> I am trying to resolve a parallel install issue on a Mac OS 10.12
>
> I have deleted the previous Amber12 version and I have updated XCode to 9.2
> and MacPorts to 2.4.2, gcc5.
>
> I have installed the serial version successfully.
>
> For the parallel installation I use mpich-3.2.1
>
> in $AMBERHOME/AmberTools/src ./configure_mpich gnu
>
>
> ./configure -mpi gnu
> make install
>
> There are no error messages and finishes with 'installation is complete'
>
> When I test using
>
> export DO_PARALLEL="mpirun -np 2"
What is the result of typing "which mpirun"? of typing "which mpif90"?
Also, to the AmberTools parallel tests (e.g. those that test sander.MPI,
not pmemd.MPI) work?
This looks like an mpi problem, but might be hard to debug remotely. It's
hard to know what questions to ask, but it would be good to know which version
of AmberTools you are using. Usually, the procedure you used (compiling
mpich from scratch) is which I've recommended, but you could also install
mpich-gcc5 from macports--both schemes have worked for me.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 26 2018 - 19:00:03 PST
