Hi Amber Users,
Greetings. I compiled Amber11 and Ambertools1.4 with MVAPICH2 and everything
works fine.
I am wondering if MMPBSA.py. MPI can be run using MVAPICH too ?
I don't see any option for compiling mpi4py with MVAPICH, so I compiled with
MPICH2.
Now I am not able to run MMPBSA.py.MPI ?!!.
Please suggest me how to go about ?
thanks,
Senthil Natesan
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Received on Wed Sep 29 2010 - 09:00:07 PDT
