Dear amber users,
I am trying to install amber16 in a HPC cluster. OpenMPI and cuda
libraries are installed and loaded.
After Amber installation(./configure gnu, after it successfully
completed, i followed it with ./configure -mpi -cuda gnu, source
amber.sh, make install and lastly echo "source $AMBERHOME/amber.sh" >>
~/.bashrc ), I saw that, the Sander.MPI was mot created but,
the following programmed were created-
pmemd.cuda
pmemd.cuda_DPFP
pmemd.cuda_DPFP.MPI
pmemd.cuda.MPI
pmemd.cuda_SPFP
pmemd.cuda_SPFP.MPI
pmemd.cuda_SPXP
pmemd.cuda_SPXP.MPI
And
sander
sander.LES
Why was just pmemd.cuda.MPI created and not Sander.MPI?
What am I missing here?
Thanks for the help.
Aravind R
National Center For Biological Sciences,
Banglore, India
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Received on Fri Aug 10 2018 - 00:30:02 PDT
