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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Received on Mon Sep 12 2016 - 09:30:03 PDT
