Hi Eyvaz:
On Aug 30, 2010, at 7:47 PM, Eyvaz Isaev wrote: > Hi Paul, > > Enclosed file contains lambda.f90, as well as matdyn.f90 etc. files. In fact, > matdyn now contains > all ingredients to calculate lambda and T_c. In this sense lambda.f90 is now > obsolete, nevertheless, you can use it. I think it would be best to leave advanced features out of "basic" routines/codes. Personally, I would prefer to have many small apllications each doing clearly a well defined task, rather than a general-purpose code doing everything according to the input keyword ... ... just a matter of personal preference (but also of programming hygiene fro those who will have to soild their hands in the codes written by others ...) This being said, I am most happy that you (and a few others) take the time to contribute with their codes to effort of this small but lively community. Best wishes, Stefano > > This files were used within QE 4.2. Any problem, please contact me. > > Bests, > Eyvaz. > > From: w2agz <w2agz at pacbell.net> > To: PWSCF Forum <pw_forum at pwscf.org> > Sent: Mon, August 30, 2010 3:30:16 AM > Subject: Re: [Pw_forum] Example07 > > Eyvaz, thanks for getting back. Good to hear from you again. -Paul > > From: Eyvaz Isaev > Sent: Sunday, August 29, 2010 3:36 PM > To: PWSCF Forum > Subject: Re: [Pw_forum] Example07 > > Hi Paul, > > No, this is a (g)fortran issue. I will fix it asap. > > Eyvaz. > > ------------------------------------------------------------------- > Prof. Eyvaz Isaev, > Department of Physics, Chemistry, and Biology (IFM), Linkoping University, > Sweden > Theoretical Physics Department, Moscow State Institute of Steel & Alloys, > Russia, > isaev at ifm.liu.se, eyvaz_isaev at yahoo.com > > > From: w2agz <w2agz at pacbell.net> > To: pw_forum at pwscf.org > Sent: Sun, August 29, 2010 11:48:45 PM > Subject: [Pw_forum] Example07 > > To All QE Gurus: > > A few days ago, I downloaded de-tared, configured and made espresso-4.2.1, > both on my trusty old linux box, and new Win 7 one running VirtualBox. On > the former I use an old Kubuntu 7-something and the latter the most recent > release, 10-something. Both use bash shell scripting. I started running the > examples, and everything was going swimmingly until I got to my favorite, > Example07, and on both boxes got the same error on the "lambda.x" step (I > inserted the relevant .f90 code) below: > **************************************************************** > running matdyn for a2F(omega) calculation... done > running lambda.x for lambda calculation...At line 98 of file lambda.f90 > Fortran runtime error: Constant string in input format > (5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4) > ^ > Error condition encountered during test: exit status = 2 > Aborting > > (Fortran code) > read (iuelph,9000) degauss1, ngauss1 > 9000 format(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4) > > $ECHO " running lambda.x for lambda calculation...\c" > $LAMBDA_COMMAND < lambda.in > lambda.out > check_failure $? > ****************************************************************** > I thought it might be a "check_failure" thing (I've had trouble with that > before), so I commented out all references to the exec...but it still > occurred. Maybe a bash issue? > > -Paul > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > <Paul.tar.gz>_______________________________________________ > 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://stefano.baroni.me [+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/20100901/99e7122f/attachment-0001.htm