Hello,
I have compiled mpich2 and amber12 with intel compiler successfully. When I run the job with sander.MPI on single nodes with multicore it runs without errors. But the same job run with multiple nodes is giving following errors with mpirun and mpiexec.
Kindly guide me.
Thanks and Regards
------------------------------
mpiexec -np 8 -machinefile /etc/mpich/machines.LINUX $AMBERHOME/bin/sander.MPI -O -i sim_cmplx_1000.in -o test.out -p a.prmtop -c sim_cmplx_1000_36.rst -r test.rst -x test.mdcrd -e test.mden &
[1] 4374
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Fatal error in PMPI_Barrier: Other MPI error, error stack:
PMPI_Barrier(425)...........: MPI_Barrier(MPI_COMM_WORLD) failed
MPIR_Barrier_impl(306)......:
MPIR_Bcast_impl(1321).......:
MPIR_Bcast_intra(1155)......:
MPIR_Bcast_binomial(213)....: Failure during collective
MPIR_Barrier_impl(292)......:
MPIR_Barrier_or_coll_fn(121):
MPIR_Barrier_intra(83)......:
dequeue_and_set_error(596)..: Communication error with rank 0
[1]+ Exit 1 mpiexec -np 8 -machinefile /etc/mpich/machines.LINUX $AMBERHOME/bin/sander.MPI -O -i sim_cmplx_1000.in -o test.out -p a.prmtop
-----------------------------------------------
-------------------------------------------
mpirun -np 8 -machinefile
/etc/mpich/machines.LINUX $AMBERHOME/bin/sander.MPI -O -i
sim_cmplx_1000.in -o test.out -p a.prmtop -c sim_cmplx_1000_36.rst -r
test.rst -x test.mdcrd -e test.mden &
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Fatal error in PMPI_Barrier: Other MPI error, error stack:
PMPI_Barrier(425)...........: MPI_Barrier(MPI_COMM_WORLD) failed
MPIR_Barrier_impl(306)......:
MPIR_Bcast_impl(1321).......:
MPIR_Bcast_intra(1155)......:
MPIR_Bcast_binomial(213)....: Failure during collective
MPIR_Barrier_impl(292)......:
MPIR_Barrier_or_coll_fn(121):
MPIR_Barrier_intra(83)......:
dequeue_and_set_error(596)..: Communication error with rank 0
-------------------------------------------------------------
Syed Tarique Moin
Ph.D. Research Fellow,
International Center for Chemical and Biological Sciences,
University of Karachi
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Received on Mon May 14 2012 - 23:30:03 PDT
