[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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