| 2:53:22 PM PDT - Mon, Oct 3rd 2011 |
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How much memory do you actually have per node, and how many processors per node?
Bert
Quote: Oct 3rd 6:07 pmHi Bert!
No I just mentioned core or atomic since I was not sure if there is a difference. I tried both options but only one at a time. Right now I am using 80 processors with, as far as I know, 4.5 GB per Processor but if that is an important parameter I could ask the admin of the cluster. The full input is
start Si11_II_CC
memory stack 2320 mb heap 180 mb global 2000 mb
geometry units angstroms
Si -3.13917621 1.04569897 0.00000000
Si -0.48608866 -2.05930346 0.00000000
Si -1.44054750 -0.17461559 -1.23279420
Si -0.91486947 2.10257468 0.00000000
Si 0.81574414 1.05614863 -1.29483629
Si 2.74618502 1.01873330 0.00000000
Si 0.55884417 -1.29069123 -2.07231568
Si 1.92586771 -1.28938713 0.00000000
symmetry cs
end
basis spherical
si library 6-311g**
end
tce
freeze atomic
ccsd(t)
io ga
2eorb
2emet 3
tilesize 15
end
set tce:lineresp T
set tce:afreq 0.000
set tce:respaxis T T T
task tce energy
All the best
Sven |