[Pw_forum] A FORMAT error in example

pem archx at 163.com
Thu Jul 17 12:03:44 CEST 2008


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

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