Re: [AMBER] test run error in amber10 installation

From: case <case.biomaps.rutgers.edu>
Date: Sat, 29 May 2010 11:20:04 -0400

On Sat, May 29, 2010, Sangita Kachhap wrote:
>
> I am compiling amber10, in parallel compilation I have used MPICH2 & ifort it
> was compiled successfully but when run test I got following error:
>
>
> [sangita.master1 test]$ make test.parallel.MM
> export TESTsander=/home/sangita/amber10/exe/sander.MPI; make test.sander.BASIC
> make[1]: Entering directory `/home/sangita/amber10/test'
> cd cytosine && ./Run.cytosine
>
> mpirun can *only* be used with MPI programs (i.e., programs that
> invoke MPI_INIT and MPI_FINALIZE). You can use the "lamexec" program
> to run non-MPI programs over the lambooted nodes.

It looks like you may have some mixture of lam and mpich2 on your machine.
What is your DO_PARALLEL variable set to? What is the result of typing
"which mpirun"?

....dac


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Received on Sat May 29 2010 - 08:30:03 PDT
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