[CPMD-list] Problem with the USPP

[Juerg Hutter]

Hi Magali

the problem is most likely related to the fact that
CPMD runs on the Hitachi in vector mode.
The USPP code has never been optimised for this
type of machine and I assume that some of the
routine are very slow.
Please send an output (complete) from the Hitachi
and (if possible) from another machine for the
same system.

best wishes

Juerg

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Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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