Thanks, Eyvaz. Gimme a few days to look at the code for the new matdyn source. I may want to redo some of my old CuO calculations. -Paul
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On Behalf Of Eyvaz Isaev Sent: Monday, August 30, 2010 10:47 AM To: PWSCF Forum Subject: Re: [Pw_forum] Example07 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. This files were used within QE 4.2. Any problem, please contact me. Bests, Eyvaz. _____ From: w2agz <w2...@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 <mailto:eyvaz_is...@yahoo.com> Sent: Sunday, August 29, 2010 3:36 PM To: PWSCF Forum <mailto:pw_forum at pwscf.org> 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 <w2...@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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100830/cf0c8f5f/attachment.htm