On 4/07/2011 2:54 PM, Mr Bernard Ramos wrote:
Hi everyone!
I will be installing gromacs 4.5.x in another computer but this time
with four cores. The PC runs in windows and I will be using
cygwin. The instructions says:
"If you want to run in parallel across a network, you need MPI. If you
are running on a supercomputer you probably already have an optimized
MPI version installed - consult your documentation or ask your system
administrator. See below for information about how to make use of MPI.
/As of GROMACS 4.5, threading is supported, so for e.g multi-core
workstations, MPI is no longer required/"
The last note says that I do not have to install MPI. Do I still need
to install MPI using cygwin?
Probably not, but I haven't tested threading on Cygwin.
Or cygwin/windows will do the MPI for me.
Nothing will do MPI for you. Threading and MPI are complementary
approaches to achieving parallelism, and which is better depends on your
execution environment.
Mark
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