On Wed, Jan 19, 2011 at 9:46 PM, Tyler Luchko <tluchko.rci.rutgers.edu>wrote:
>
> On 2011-01-19, at 6:12 PM, Jason Swails wrote:
>
> > rism3d/ala && ./Run.ala.hnc && ./Run.ala.pse1 -- exits in error with
> sander
> > printing the message [ ERROR> solvcut must > 0. ]
> >
>
> I have fixed this but haven't pushed it out yet. I'll do this ASAP.
>
> > Amber (parallel, 2 threads):
> >
> > All sander.RISM.MPI tests failed with the message [ Fatal error in
> > MPI_Comm_rank: Invalid communicator, error stack: ]
>
> What are your configure options? I'm not seeing this with GNU or Intel
> compilers.
>
Ubuntu Linux x86_64. Intel compilers 11.1.069 with Intel MKL (same
version). mpich2 version 1.2.1b.
mpicc -show = icc -fpic -I/mpi/intel-11.1.069/mpich2-1.2.1/include
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib -lmpich -lopa -lpthread -lrt
mpif90 -show = ifort -I/mpi/intel-11.1.069/mpich2-1.2.1/include
-I/mpi/intel-11.1.069/mpich2-1.2.1/include
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib -lmpichf90 -lmpichf90 -lmpich -lopa
-lpthread -lrt
mpif77 -show = ifort -fpic -I/mpi/intel-11.1.069/mpich2-1.2.1/include
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib
-L/mpi/intel-11.1.069/mpich2-1.2.1/lib -lmpich -lopa -lpthread -lrt
I'm not sure why mpif90 doesn't have the flag for PIC... I can change mpif90
to mpif77 and see if that makes a difference.
Just as a note, this error does not crop up on my Mac OS X, GNU 4.4.5,
OpenMPI 1.4.1 setup. I can check my Mac to see if it's an mpich2 issue. I
remember just prior to the Amber 11 release there was a similar issue that
surfaced on the developer list that Mark Williamson found and fixed
pertaining to MPICH2. Perhaps it's that?
Thanks!
Jason
>
> Tyler
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Jan 19 2011 - 20:00:02 PST
