[CPMD-list] Running cpmd on Altix (again)

[Axel Kohlmeyer]

On Mon, 7 May 2007, Jiri Houska wrote:

jiri,

first, please try running interactively in serial 
to debug your input, if you are not doing this already.

JH> Dear Prof. Hutter (and others),
JH> thanks for the answer. The output file (copied below) ends without any  
JH> error message just below the first section repeating basic information  
JH> from the input file (the first missing line looks to be "DETSP| THE  
JH> NEW SIZE OF THE PROGRAM IS ..."). For my life I am not able to find  

is the pseudopotential in place and the name spelled correctly 
in the input.

is your input in unix-style ascii? some fortran compilers have 
trouble parsing text which has dos/windows style end-of-line
conventions (in case you wrote your input file on a pc and
transferred it to the altix). you can try running dos2unix
on your input to correct that.

otherwise, please send the complete input attached as a gzipped
file, so that no mailer can mess with it...

cheers,
   axel.

JH> any arror in the simple input file ... . Any help is very welcomed!
JH> Jiri
JH> 
JH> ******************output:******************

[...]

-- 
=======================================================================
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.