You set your AMBERHOME, etc somehow wrongly.
The error message is telling you that the system is trying to find the
sander.MPI executable in
/nethome/axt651/apps/amber14/dat/slko/sander.MPI
but of course it is not there.
Adrian
On 9/12/16 10:04 AM, Thakur, Abhishek wrote:
> Hi everyone
>
> I am trying to use SCC-DFTB for my qm/mm calculation.
>
> I have downloaded the file in set $AMBERHOME/dat/slko/
>
>
> Then while running the script I am udefining it by
>
>
> set amber=$AMBERHOME/dat/slko/sander.MPI
>
>
> The error that I am getting is
>
>
> mpirun was unable to launch the specified application as it could not access
> or execute an executable:
>
> Executable: /nethome/axt651/apps/amber14/dat/slko/sander.MPI
>
>
> I am not getting where I am doing mistake
>
>
>
> Thanking you,
>
> AT
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Sep 12 2016 - 09:30:04 PDT
