[Pw_forum] error using plotrho.x

Hande Ustunel ustunel at sissa.it
Wed Feb 1 18:53:49 CET 2006


Hi,

The message below was posted a little while back and the reply was related
to redirection issues. However, I'm running into an identical problem in
espresso-3.0 and I think it might be related to negative numbers in the
charge density. When I use a preprocessed file that has negative numbers,
plotrho.x fails with the identical message as given in the previous
post. When I change all those numbers to positive and use the same input
with redirection and everything being the same, it works. With my very
limited fortran knowledge I couldn't see anything in the code that would
fail for negative numbers save the logarithmic option but that seems to be
checking for negative numbers already. Has negative numbers ever worked for
anyone in the past?

Thank you very much in advance for any help.
Best wishes,
Hande

ORIGINAL MESSAGE :

> Hi everybody,
>  HAPPY NEW YEAR ..
>  well i wanted to use plotrho.x file....but gives error message as:
> 
> input file > r0   :   0.0000  0.0000  0.0000
> tau1 :   1.0000  1.0000  0.0000
> tau2 :   0.0000  0.0000  1.0000
> read   1 atomic positions
> output file > Read  56 * 40  grid
> Bounds:    -0.179800    0.490500
> min, max, # of levels > forrtl: severe (59): list-directed I/O syntax
> error, unit 5, file stdinImage              PC        Routine 
>   Line        Source
> plotrho.x          084D1939  Unknown               Unknown  Unknown
> plotrho.x          08495191  Unknown               Unknown  Unknown
> plotrho.x          08495788  Unknown               Unknown  Unknown
> plotrho.x          084B1748  Unknown               Unknown  Unknown
> plotrho.x          084B0FD1  Unknown               Unknown  Unknown
> plotrho.x          0804B60C  Unknown               Unknown  Unknown
> 
> Stack trace terminated abnormally.
> 
> 
> do anybody know the solution to it?
> 
> Thanks
> -- 
> -- 
> **********************************************************
> BHALCHANDRA S. PUJARI.

-------

REPLY

> > forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin
> 
> plotrho.x reads from standard input, i.e. from the terminal 
> ("unit 5, file stdin": stdin =  standard input) and does not find 
> what it expects ("list-directed I/O syntax error", not exactly the 
> clearest message one can think of). If you are redirecting the
> standard input to a file, as in "plotrho.x < somefile", it might 
> also mean that file "somefile" did not contain all the needed data. 
> 
> > does anybody know the solution to it?
> 
> you have to give the correct input
> 
> Paolo





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