Does it work if you run without MPI?
Bill
On 11/29/17 2:00 AM, MinYuan wrote:
> Hi,
>
> I have installed the MPI version of amber16 and test PASSED as manual.
>
> But when I followed the tutorial at http://ambermd.org/tutorials/advanced/tutorial17/section1.htm
>
> and typed the command ' mpirun -np 2 $AMBERHOME/bin/pmemd.MPI -O -i 01_min.in -o 01_min.o
> ut -p ala_tri.prmtop -c ala_tri.inpcrd -r 01_min.rst'
>
>
> Error come as
> -------------------------------
> Unit 5 Error on OPEN: 01_min.in
>
> Unit 5 Error on OPEN: 01_min.in
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
>
> ------------------------------------------------------------------
>
> Then I tried other tutorials,
>
> same error come: e.g. 'Error opening unit 5: File "md_qmmm.in" is missing or unreadable'
>
> But the input file was just saved from online tutorial.
>
> What's wrong?
>
>
>
>
> Looking forward to hear your reply soon.
>
> Best wishes
> Yuan Min
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Received on Wed Nov 29 2017 - 02:30:03 PST
