al Quad Xeon
machines, because they are faster. I would suspect, that this is more like an
issue with the Quad Xeon architecture, or with our particular system
environment/installation.
Yours Sincerely,
Janos.
==
Janos Kiss
case, because even for those images, where the wfc was converged, i still
nead to spend again like 5-9 SCF cycles/image.
What am i doing wrong?
Yours Sincerely,
Janos.
==
Janos Kiss e-mail: janos.kiss at theochem.ruhr-uni-boc
input the crash was reproduced several times :)
I would be still interested in the other question send in my previous email.
All the best,
Janos.
==
Janos Kiss e-mail: janos.kiss at theochem.ruhr-uni-bochum.de
popped in my mind would affect the convergence of the low energy
images as well, where more accuracy is really needed, or would substantially
increase the overall execution/setup speed.
All the best,
Janos.
==
Janos Kiss e-mail
