Quote:Lilabdb Feb 26th 2:08 amHi all,
I got a problem in my optimization, it did only two steps and stopped, telling me " grpwrite: insuff eafsize 6291456 " .
I tried to look on the users manual but I failed to find out what's the problem. Does someone know ?
Thanks !
Liladb,
Please add the line "set grid:eaf_size_in_dbl 8000000" in your input file just before the task line, as in the example below.
If you got back a few lines before the one reporting 'grpwrite: insuff eafsize 6291456", you can find the output mentionign the
set grid:eaf_size_in_dbl input change.
Cheers, Edo
dft
...
end
set grid:eaf_size_in_dbl
task dft
PS: What platform are you using for your NWChem runs?
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