[Pw_forum] Example07

W2AGZ w2agz at w2agz.com
Mon Aug 30 21:26:16 CEST 2010

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-bounces at 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.




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 <mailto:eyvaz_isaev at 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.



Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
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


(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?





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