[Pw_forum] question about example16 (pengyang)

[yang]

Dear All,

I am a beginner of PWscf and want to calculate some STM images.   
There is a problem for me about the example16 in the version 3.2.3.  
The 'make.power5-aix-serial' file in the 'install' directory does not  
work for the compilation in our server. I just change the 'MPI90 =  
mpixlf90_r' to 'MPI90 = xlf90_r' in the defaut file 'make.sys'  
obtained by the command 'configure', then the program was sucessfully  
compiled on the AIX 5 system. The program was stopped during running  
the example16, and i cann't get the 'AlAs110-1.0eV.ps' file. The erro  
message was attached below. I'm afraid that it is due to the  
incorrect compilation. Anyone can help me? Thanks in advance!

Best regards,
Peng

------------------------------
----------------------------------------------------------------
/san/home/yangpeng/pwscf/examples/examples/example16 : starting

This example shows a calculation of STM maps.

   executables directory: /san/home/yangpeng/pwscf/espresso/bin
   pseudo directory:      /san/home/yangpeng/pwscf/espresso/pseudo
   temporary directory:   /san/home/yangpeng/pwscf/tmp
   checking that needed directories and files exist... done

   running pw.x as:       /san/home/yangpeng/pwscf/espresso/bin/pw.x
   running pp.x as:       /san/home/yangpeng/pwscf/espresso/bin/pp.x
   running plotrho.x as: /san/home/yangpeng/pwscf/espresso/bin/plotrho.x

   cleaning /san/home/yangpeng/pwscf/tmp... done
   running the scf calculation... done
   running the non-scf calculation... done

   running the post-processing phase, negative bias... done
   running plotrho on negative bias data..."plotrho.f90", line 88:  
1525-097 A READ statement using decimal b
ase input found the invalid digit 'n' in the input file.  The program  
will recover by assuming a zero in it
s place.
"plotrho.f90", line 88: 1525-097 A READ statement using decimal base  
input found the invalid digit '.' in t
he input file.  The program will recover by assuming a zero in its  
place.
"plotrho.f90", line 114: 1525-001 The READ statement on the file  
(standard input) cannot be completed becau
se the end of the file was reached.  The program will stop.
  done
   running the post-processing phase, positive bias... done
   running plotrho on positive bias data..."plotrho.f90", line 88:  
1525-097 A READ statement using decimal b
ase input found the invalid digit 'n' in the input file.  The program  
will recover by assuming a zero in it
s place.
"plotrho.f90", line 88: 1525-097 A READ statement using decimal base  
input found the invalid digit '.' in t
he input file.  The program will recover by assuming a zero in its  
place.
"plotrho.f90", line 114: 1525-001 The READ statement on the file  
(standard input) cannot be completed becau
se the end of the file was reached.  The program will stop.
  done

-----------------------------------------------------------
Peng YANG
Doctorant
Laboratoire LM2N
Directeur: Pr M.-P. Pileni
Université Pierre et Marie Curie
4 place Jussieu
75252 Paris Cedex 05
tel: 01 44 27 26 96
fax: 01 44 27 25 15


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