[mpich-discuss] MPIRUN

[bharat gupta]

Hi,

I have installed MPICH2 in order to use it in gromacs . But with the
mdrun_mpi mdrun -s prefix_.tpr -multi 5 -replex 100
 command ,  I am getting the following error :-

Fatal error:
The number of nodes (1) is not a multiple of the number of simulations (5)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

"Look at these, my work-strong arms" (P.J. Harvey)

Halting program mdrun_mpi

gcq#345: "Look at these, my work-strong arms" (P.J. Harvey)

application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0

Does it mean that the installation is not correct or MPI is not able to
recognize all the 4 cores of my CPU.

I check the installation of MPICH2 with this command :
[root at BHARATPCmpich2-1.4.1p1]# mpiexec -n 4 ./examples/cpi
 Here's its output :-
Process 0 of 4 is on BHARATPC
Process 1 of 4 is on BHARATPC
Process 2 of 4 is on BHARATPC
Process 3 of 4 is on BHARATPC
pi is approximately 3.1415926544231239, Error is 0.0000000008333307
wall clock time = 0.000450

Can anybody tell me the reason for the first error ?




-- 
Bharat
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