[Pw_forum] problem with input redirection with plotrho.x

Glenn Johnson gjohnson at srrc.ars.usda.gov
Wed Aug 13 18:50:20 CEST 2003


I am a newbie to pwscf so have patience.  I just compiled pwscf-1.2
with Linux IFC-7.1, Build 20030307Z.  I downloaded the pseudopotentials
from the pwscf.org Web site for the elements needed for the examples
and then I ran all of the examples.  I did have to change the names
in the run_example scripts to match the names of the downloaded
pseudopotentials.  Everything seems to work fine except for two things:

- In example2, I get a "FORTRAN STOP 1" at the end of the "phonon
  calculation at X for a single mode".  The output seems okay though.

- In example5, I get an error with plotrho.x (see below).  The error
  is due to redirection of the input file to plotrho.x; if I execute
  plotrho.x without input redirection and enter the appropriate values
  when prompted, the program works fine.
 
 running ./run_example:
 This example shows how to use pw.x and pp.x to calculate the
 the scf charge density and plot it in the [110] plane. 
 
 PW_ROOT    is  defined as /home/glenn/pwscf 
 PSEUDO_DIR is  defined as /home/glenn/pwscf/pseudopotentials 
 TMP_DIR    is  defined as /usr/scratch/pwscf/ 
 
 checking that needed directories and files exist;  done
 cleaning /usr/scratch/pwscf/ ;  done
 running the scf calculation;  done
 running the post-processing for charge density;  done
 running chdens.x to make 2-d plot with plotrho.x ;  done
 running plotrho.x to generate rho.ps ; Filename missing or blank - please enter name
UNIT 1? 

Input/Output Error 153: Input file ended

   In Procedure: main program
        At Line: 89

      Statement: List-Directed READ
           Unit: 5
   Connected To: Stdin
           Form: Formatted
         Access: Sequential
Records Read   : 2
Records Written: 0


** Address Error **

Here is the output into si.plotrho.out:

   usage: plotrho  [input file] 
 r0   :   0.0000  0.0000  0.0000
 tau1 :   2.0000  2.0000  0.0000
 tau2 :   0.0000  0.0000  2.0000
   2 atomic positions read
   output file >    nx, ny (output) > 
  
I looked at the Fortran code in plotrho.f90 but nothing jumped out at me
as being wrong.  Has anyone seen this before?

Thanks.

-- 
Glenn Johnson
USDA, ARS, SRRC			 Phone: (504) 286-4252
New Orleans, LA 70124		e-mail: gjohnson at srrc.ars.usda.gov



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