[Pw_forum] Electron-phonon calculations in Examples 02 and 07.

[Stefano de Gironcoli]

Dear Amos Leffler,
    what you are showing us is the  error found by the script, which 
says that ...there was an error.
    have you verified the content of the several output files that are 
created by the codes in the result directory? they might be more 
informative and you may discover that you not even need our help...
   best regards,
      stefano

Amos Leffler wrote:
> Dear Forum,
>         On May 12 Dong Hee Lim reported a problem with Example 02 when 
> running espresso-4.0.1.  Paolo G. asked for more details but I have 
> not seen any since then.  I am reporting a similar problem with some 
> of the output.  These were run using espresso-4.0.1 in serial mode 
> using a fortran g95 fortran compiler.
>  
> /home/amos/Desktop/espresso-4.0.1/examples/example02
> env LD_LIBRARY_PATH=/opt/intel/mkl/10.0.3.020/lib/em64t ./run_example
>  
> This example shows how to use pw.x and ph.x to calculate phonon 
> frequencies at Gamma and X for Si and C
> in the diamond structure and for fcc-Ni
>  
>   executables directory:  /home/amos/Desktop/espresso-4.0.1/bin
>   pseudo directory:         /home/amos/Desktop/espresso-4.0.1/pseudo
>   temporary directory      /home/amos/tmp
>  
>   checking that needed directories and files exist... done
>  
>   running pw.x as :        /home/amos/Desktop/espresso-4.0.1/bin/pw.x
>   running  ph.x as :       /home/amos/Desktop/espresso-4.0.1/bin/ph.x
>  
>   cleaning /home/amos/tmp...  done
>   running the scf calculation...  done
>   running the phonon calculation at Gamma...  done
>   running the nscf calculation at X for a single mode...  done
>   running the phonon calculation at X for a single mode ...  STOP  2
> Error  condition encountered during test:  exit status = 2
> Aborting
>  
> Example 07
>  
> This gives the same sort of sequence through running pw.x, ph.x, 
> q2r.x, matdyn.x.  It then goes through: cleaning /home/amos/tmp.
>  
>   running the scf calculation with dense k-point grid...  done
>   running the scf calculation... done
>   running the el-ph calculation...  STOP  2
> Error condtion encountered during test: exit status = 2
> Aborting
>  
> Both examples stop in the same portion of the run_example and probably 
> have the same cause.  Some other examples complete properly but I have 
> not tested all of them
>  
>                                                                     
>                 Amos Leffler.
> ------------------------------------------------------------------------
>
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