The memory per processor: the node has two 4-core processors, and one node has 8 gigabytes,
thus per "logical processor", if I am not mistaken, there is 1 gigabyte of memory
Here is my input deck:
title "Ethane computation"
- MEMORY stack 20 heap 20 global 100 mb
MEMORY 50 mb
- limit datasize unlimited
geometry units au
c 0.6094586161 0.6160650301 -1.2654645911
c 1.8999383856 0.8008185091 -0.9716170053
h 0.1832886491 0.9616353117 -2.2014576524
h -0.0650946835 0.1131451391 -0.5805989621
h 2.3264366884 0.4553960096 -0.0357437284
h 2.5742223443 1.3038000003 -1.6567380607
end
basis noprint
c library 3-21g
h library 3-21g
end
task scf optimize
task scf vscf
Can you post your input deck ? Also, how much memory do you have per processor on your system ?
Thanks,
-Niri
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