[Pw_forum] execution error

[Axel Kohlmeyer]

On Thu, 12 Jan 2006, Aritz Leonardo wrote:

AL> Hello all:

...
AL> Then I try to run other very simple 'scf' scripts WHICH I AM COMPLETELY
AL> SURE THAT they are correctly typed and I find the following error at
AL> execution.

aritz,

a) please do post the input example, so we can all see 
that it is correct. the error message indicates, that
the program could not read the &control namelist. this
can have multiple reasons.

b) does your input work with a serial executable?
that would give proof that in fact the cluster 
configuration ist to blame. if the job is too big,
you can always - for debugging purposes - set plane
wave (and density cutoff) to ridiculously low values
just to see whether the input is read correctly.

AL> I am 99% sure that it is an error of the cluster configuration but in
AL> order to fix it I would like to know...
AL> What is the meaning of error#1 ??????

c) please describe how you started the job. some MPI 
implementations do not support reading from STDIN,
so that you have to use the -inp flag. see the 
corresponding section in the manual.


regards,
     axel.

AL> 
AL> 
AL> 
AL>      Parallel version (MPI)
AL> 
AL>      Number of processors in use:       1
AL> 
AL>      Ultrasoft (Vanderbilt) Pseudopotentials
AL> 
AL>      Current dimensions of program pwscf are:
AL> 
AL>      ntypx = 10   npk = 40000  lmax =  3
AL>      nchix =  6  ndmx =  2000  nbrx = 14  nqfx =  8
AL> 
AL>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
AL>      from  read_namelists  : error #         1
AL>       reading namelist control
AL>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
AL> 
AL> THANKS!!!!!!!
AL> 
AL> _______________________________________________
AL> Pw_forum mailing list
AL> Pw_forum at pwscf.org
AL> http://www.democritos.it/mailman/listinfo/pw_forum
AL> 

-- 
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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
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If you make something idiot-proof, the universe creates a better idiot.