[gmx-users] On multi-core PCs and gromacs installation
Mr Bernard Ramos
bgrquantum at yahoo.com
Mon Jul 4 06:54:44 CEST 2011
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? Or cygwin/windows will do the MPI for me.
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