<html><head><base href="x-msg://30/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Eyvaz:<div><br></div><div><br><div><div>On Aug 30, 2010, at 7:47 PM, Eyvaz Isaev wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Hi Paul,<br><br>Enclosed file contains lambda.f90, as well as matdyn.f90 etc. files. In fact, matdyn now contains<span class="Apple-converted-space"> </span><br>all ingredients to calculate lambda and T_c. In this sense lambda.f90 is now obsolete, nevertheless, you can use it.<br></div></div></div></span></blockquote><div><br></div>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 ...</div><div><br></div><div>... 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 ...)</div><div><br></div><div>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.</div><div><br></div><div>Best wishes,</div><div>Stefano</div><div><br><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><br>This files were used within QE 4.2. Any problem, please contact me.<br><br>Bests,<br>Eyvaz. <div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><br><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold; ">From:</span></b><span class="Apple-converted-space"> </span>w2agz <<a href="mailto:w2agz@pacbell.net">w2agz@pacbell.net</a>><br><b><span style="font-weight: bold; ">To:</span></b><span class="Apple-converted-space"> </span>PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br><b><span style="font-weight: bold; ">Sent:</span></b><span class="Apple-converted-space"> </span>Mon, August 30, 2010 3:30:16 AM<br><b><span style="font-weight: bold; ">Subject:</span></b><span class="Apple-converted-space"> </span>Re: [Pw_forum] Example07<br></font><br><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">Eyvaz, thanks for getting back. Good to hear from you again. -Paul</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 10pt/normal Tahoma; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; background-image: none; background-attachment: scroll; background-origin: initial; background-clip: initial; background-color: rgb(245, 245, 245); background-position: 0% 0%; background-repeat: repeat repeat; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><b>From:</b><span class="Apple-converted-space"> </span><a rel="nofollow" title="mailto:eyvaz_isaev@yahoo.com
CTRL + Click to follow link" ymailto="mailto:eyvaz_isaev@yahoo.com" target="_blank" href="mailto:eyvaz_isaev@yahoo.com">Eyvaz Isaev</a></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><b>Sent:</b><span class="Apple-converted-space"> </span>Sunday, August 29, 2010 3:36 PM</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><b>To:</b><span class="Apple-converted-space"> </span><a rel="nofollow" title="mailto:pw_forum@pwscf.org
CTRL + Click to follow link" ymailto="mailto:pw_forum@pwscf.org" target="_blank" href="mailto:pw_forum@pwscf.org">PWSCF Forum</a></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><b>Subject:</b><span class="Apple-converted-space"> </span>Re: [Pw_forum] Example07</div></div></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Hi Paul,<br><br>No, this is a (g)fortran issue. I will fix it asap.<br><br>Eyvaz.<br><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "> </div>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev,<span class="Apple-converted-space"> </span><br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden<span class="Apple-converted-space"> </span><br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,<span class="Apple-converted-space"> </span><br><a rel="nofollow" ymailto="mailto:isaev@ifm.liu.se" target="_blank" href="mailto:isaev@ifm.liu.se">isaev@ifm.liu.se</a>,<span class="Apple-converted-space"> </span><a rel="nofollow" ymailto="mailto:eyvaz_isaev@yahoo.com" target="_blank" href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><br></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><br><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold; ">From:</span></b><span class="Apple-converted-space"> </span>w2agz <<a href="mailto:w2agz@pacbell.net">w2agz@pacbell.net</a>><br><b><span style="font-weight: bold; ">To:</span></b><span class="Apple-converted-space"> </span><a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br><b><span style="font-weight: bold; ">Sent:</span></b><span class="Apple-converted-space"> </span>Sun, August 29, 2010 11:48:45 PM<br><b><span style="font-weight: bold; ">Subject:</span></b><span class="Apple-converted-space"> </span>[Pw_forum] Example07<br></font><br><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">To All QE Gurus:</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri"></font> </div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">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:</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">****************************************************************</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">running matdyn for a2F(omega) calculation... done<br> running lambda.x for lambda calculation...At line 98 of file lambda.f90<br>Fortran runtime error: Constant string in input format<br>(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)<br> ^<br>Error condition encountered during test: exit status = 2<br>Aborting</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "> </div><font face="Calibri"></font><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">(Fortran code)<br> read (iuelph,9000) degauss1, ngauss1<br>9000 format(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri"></font> </div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">$ECHO " running lambda.x for lambda calculation...\c"<br>$LAMBDA_COMMAND <<span class="Apple-converted-space"> </span><a rel="nofollow" target="_blank" href="http://lambda.in">lambda.in</a><span class="Apple-converted-space"> </span>> lambda.out<br>check_failure $? </font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">****************************************************************** </font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">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?</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri"></font> </div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Calibri">-Paul</font></div></div></div></div><br><div><br class="webkit-block-placeholder"></div><hr><div><br class="webkit-block-placeholder"></div>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><span><a target="_blank" href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a></span><br></div></div></div></div><br><span><Paul.tar.gz></span>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></span></blockquote></div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">---</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Stefano Baroni - SISSA</span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "> </span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">&</span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "> </span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">DEMOCRITOS National Simulation Center - Trieste</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "><a href="http://stefano.baroni.me">http://stefano.baroni.me</a> [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; font-size: 12px; "><br style="font-size: 12px; "></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; font-size: 12px; "><span class="Apple-style-span" style="font-size: 14px; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "><br></span></font></div></span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Please, if possible, don't</span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "> </span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">send me MS Word or PowerPoint attachments</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Why? See:</span></font><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; "> </span></font><font class="Apple-style-span" color="#0023E9" size="3"><span class="Apple-style-span" style="font-size: 12px; "><a href="http://www.gnu.org/philosophy/no-word-attachments.html">http://www.gnu.org/philosophy/no-word-attachments.html</a></span></font></div><div><font class="Apple-style-span" color="#0023E9" size="3"><span class="Apple-style-span" style="font-size: 12px; "><br class="webkit-block-placeholder"></span></font></div></div></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></span><br class="Apple-interchange-newline">
</div>
<br></div></body></html>