On 11/21/2007 7:33 PM, Vasilii Artyukhov wrote:
Hi everybody,
Sorry for a somewhat technical question, but I'd like to know which is
the best way to run GROMACS on a SMP machine (in particular, a
multicore PC). The (known) points of interest are:
- Does GROMACS support multithreaded execution & how efficient is it?
No.
- Should I rather use some kind of MPI & which (LAM/Open/MPICH) is
better & why?
Yes. This is the only way.
Surely, there's always the option to run two serial jobs instead with
a greater efficiency, but having some means to boost the single job
performance by something like 1.9x would be very useful...
Thanks in advance,
Vasilii
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