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

[Amos Leffler]

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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