[Pw_forum] A FORMAT error in example

[Stefano Baroni]

Dear Pem (???): you are on the right track. Just change the FORMAT  
statement as indicated, and try again. SB
OOh, yes: would you be so kind as to sign your correspondence with  
name-family name-affiliations?
Cheers - SB

On Jul 17, 2008, at 12:03 PM, pem wrote:

> Dear all,
>
> I've just compiled espresso.4.0 on my desktop with ifort10. When run  
> rhe
> example in "espresso.4.0/examples/autopilot-example", I found some  
> errors in
> the formatted outputs win the generated file titled  
> water.autopilot.out .
> It's like fellow:
>
> 0.0000  0.0000 -0.0121 -9.9528
> 1071  0.00023    0.0  827.2   -17.20243   -17.20243   -17.19850    
> -17.20624
> 0.0000  0.0000 -0.0119 -9.9887
> 1072  0.00024    0.0  849.0   -17.20240   -17.20240   -17.19837    
> -17.20638
> 0.0000  0.0000 -0.0116 *******
> 1073  0.00025    0.0  870.1   -17.20237   -17.20237   -17.19824    
> -17.20652
> 0.0000  0.0000 -0.0114 *******
>
>
> the "*"s appear from line 4762.
>
> I checked the source and found the line 267 of espresso.4.0/CPV/ 
> print_out.f90
> is causing this error:
>
> Line266:         WRITE( stdout, 1948 ) nfi, ekinc, temphc, tempp,  
> etot,
> enthal, econs, &
>                            econt, vnhh(3,3), xnhh0(3,3), vnhp(1),   
> xnhp0(1)
>
> Line297: 1948  FORMAT( I5,1X,F8.5,1X,F6.1,1X,F6.1,4(1X,F11.5), 
> 4(1X,F7.4) ),
> better if 4(1X,F7.4) be changed into  4(2X,F8.4) here.
>
> Does this problem occur when your run this example? I am not sure  
> it's caused
> by my installation failure, or it's a bug in the code.
>
> Regards,
>
>
> pem
> 07/17/2008
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale  
de la pensée - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html






-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080717/e68f39b2/attachment.html>