AMBER: problems of running sander.MPI of amber9 on remote node

From: Chengwen Chen <>
Date: Mon, 24 Jul 2006 14:29:20 +0800

Dear all,
I am new on linux and amber. I compiled amber9 with ifort_ia32, openmpi. I
have successfully run sander.MPI run on single PC with "mpirun -np 2 ".
While I got some problem on remote node. Can anybody give me some advice ?

The error message is :

mpirun -np 2 --host wolf45,wolf46 /usr/local/amber9/exe/sander.MPI -O -i -o test_min.out -c test.inpcrd -p test.prmtop -r test_min.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 Wed Jul 26 2006 - 06:07:06 PDT
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