Dear All,
I tried to run ridft calculation, to determine the density of states (dos) of a molecule.
$pop mo 1-500 dos atoms 1-115
At that time I did specified 12 procs to run it on. The calculation did not go through, what happened was; when checked using "top" it showed it's running on 12 procs, but it didn't calculated the dos.
But when I ran on single processor the calculation did go through in no time.
I was little surprised as I thought RIDFT calculations could run parallel ?
thanks