Running NWchem on CentOs

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Are all the CPUs on one board or are they connected through some network?

Bert


Quote:Eignacio Feb 25th 11:25 am
Hi,
I am new to this so this may be a basic question.
Our College just obtained a new HPC machine for several users. It is a box with has 4 CPUs and with 12 cores each CPU. My question is: in compiling the NWChem v6, should I use an MPI just to access all the cores? What about to run on 12 cores only?

Thanks,

Ed


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