[Pw_forum] ph.x v3.2 on NEC SX-8

Axel Kohlmeyer 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
pseudopotetial files).


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.

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