Hi,
I've been able to successfully separately compile MPI and CUDA version
of Amber 11. I'd like to know if there is a way to compile MPI versions
of pmemd and the rest of the executables while retaining my copy of
pmemd.cuda Doing ./configure -mpi -cuda gnu gives me:
Error: NVIDIA cuda compilation is exclusive of MPI.
Regards,
Tabitha
Tabitha Samuel
NICS Scientific Support
National Institute for Computational Sciences
Oak Ridge National Laboratory
Oak Ridge, TN 37831
865-574-0413
tsamuel.utk.edu
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Received on Tue May 18 2010 - 09:00:07 PDT
