[AMBER] pmemd.MPI problem

From: George Tzotzos <gtzotzos.me.com>
Date: Thu, 16 Sep 2010 19:35:10 +0200

Hi everybody

amber11 parallel has been installed and passed all tests.

I'm running OSX on a 4 Core 2.8 GHz Intel Core i7 machine.

Running: mpirun -np 4 sander.MPI etc. works smoothly

Running: mpirun -np 4 pmemd.MPI produces the following error.

MPI version of PMEMD must be used with 2 or more processors!
 MPI version of PMEMD must be used with 2 or more processors!
 MPI version of PMEMD must be used with 2 or more processors!
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
 MPI version of PMEMD must be used with 2 or more processors!
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

Any ideas as to why?

Thanks in advance and regards

George


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Received on Thu Sep 16 2010 - 11:00:03 PDT
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