AMBER: error on running parallel sander on remote node- amber9

From: Chengwen Chen <>
Date: Wed, 5 Jul 2006 15:46:11 +0800

Dear AMBER usrs,

I successfully run parallel sander on single PC with np -2, while get error
on remote node. BTW, openmpi seems to work for my test programme on remote
Any suggestions for me? Thank you very much in advance.

[say.wolf45 tmp]$ mpirun -np 2 --host wolf45,wolf46
/usr/local/amber9/exe/sander.MPI -O -i /tmp/ -o
/tmp/amber9mintest.out -c /tmp/amber9mintest.inpcrd -p
/tmp/amber9mintest.prmtop -r /tmp/amber9mintest.rst
[] *** An error occurred in MPI_Barrier
[] *** on communicator MPI_COMM_WORLD
[ ] *** MPI_ERR_INTERN: internal error
[] *** MPI_ERRORS_ARE_FATAL (goodbye)
1 process killed (possibly by Open MPI)

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Received on Sun Jul 09 2006 - 06:07:05 PDT
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