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 pens?e - 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://www.democritos.it/pipermail/pw_forum/attachments/20080717/e68f39b2/attachment-0001.htm
