[gmx-users] Re: scaling issues in GROMACS
spoel at xray.bmc.uu.se
Thu Oct 16 21:26:01 CEST 2003
On Thu, 2003-10-16 at 21:13, Dean Johnson wrote:
> On Wednesday, October 15, 2003, at 10:32 PM, Erik Lindahl wrote:
> >> How do you turn on shared memory use for dual xeons ?
> >> Sasidhar
> > Under Linux, LAM-MPI should detect it automatically unless you
> > explicitly disabled it when compiling (the RPM packages support it).
> > There is nothing you have to do if it is enabled - LAM will check if
> > two processes are on the same node and use shared memory communication
> > if possible.
> Any idea of how this would be done with vanilla MPICH?
I'm pretty sure it will use it too, no idea how efficient though. I was
falsely under the impression that you were using just one processor per
(dual) node, even though you wrote CPU.
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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