Hi Sanjib,
Your environment is setup incorrectly for mpi. Try 'which mpirun' and see
if it points to the same MPI that you used to compile pmemd.cuda.MPI with.
Did you compile it under the same username as you are trying to run under?
All the best
Ross
On 5/19/14, 11:16 AM, "Sanjib Paul" <sanjib88paul.gmail.com> wrote:
>Hello everyone,
> I have installed parallel version of
>pmemd.cuda. After installation while testing I got few failure messages
>but
>no error message. Ignoring that I started to test the parallel version in
>my own system using the command below.
>
>$AMBERHOME/bin/pmemd.cuda.MPI -O -i mdin -o mdout -p prmtop -c inpcrd -r
>rst -x mdcrd
>
>Here I got a error message.
>
>*error while loading shared libraries: libmpi_f90.so.1: cannot open shared
>object file: No such file or director*.
>
>I can't understand what the problem is. Please help me.
>
>Thanking you,
>Sanjib
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Received on Mon May 19 2014 - 12:30:02 PDT
