[Pw_forum] ph.x v3.2 on NEC SX-8
akohlmey at cmm.chem.upenn.edu
Thu Dec 28 19:08:23 CET 2006
On Wed, 27 Dec 2006 wlyim at puccini.che.pitt.edu wrote:
WY> Dear Sir/Madam,
WY> I compiled espresso-3.2 on NEC SX-8. The scf and nscf calculations can be
WY> completed successfully, but a problem was encountered when ph.x started,
WY> which seemed to be related to do dmxc_spin set startup. The error message
WY> is as follows.
thanks for the report.
can you please check whether you can reproduce this error
with one of the examples shipped with the distribution.
there are a number of reasons why this may happen. so it
would be useful to reduce the number of unknowns (input and
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
More information about the users