<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I have exactly the same problem with ifort on my MacPro and gfortran on my AMD cluster<div><br></div><div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> from read_kernel_table : error # 1</div><div> No \"vdW_kernel_table\" file could be found</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div><br></div><div><br></div><div><div>Le 24 mars 11 à 04:47, Mehmet Topsakal a écrit :</div><br class="Apple-interchange-newline"><blockquote type="cite">just run generate_vdW_kernel_table.x executable and wait for <meta charset="utf-8">vdW_kernel_table file to appear.<div><br><br><div class="gmail_quote">On Thu, Mar 24, 2011 at 4:19 AM, Chenghua Sun <span dir="ltr"><<a href="mailto:c.sun1@uq.edu.au">c.sun1@uq.edu.au</a>></span> wrote:<br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear Nicola,<br> <br> Thanks for your reply. I installed the QE4.3a and run a test with input_dft = 'vdW-DF', but I got the error message below:<br> <br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from read_kernel_table : error # 1<br> No \"vdW_kernel_table\" file could be found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> <br> <br> To fix it, should I install the kernel table or add some option with my compiling?<br> <br> Thanks.<br> <div class="im"><br> chenghua<br> ************************************************************<br> Chenghua Sun, PhD<br> Australian Institute for Bioengineering and Nanotechnology<br> Centre for Computational Molecular Science, Director<br> The University of Queensland<br> <br> Postal Address:<br> CCMS, AIBN Building #75,<br> The University of Queensland<br> Brisbane, Qld 4072, Australia<br> <br> Tel: +61 7 3346 3972<br> Fax : +61 7 3346 3992<br> Email: <a href="mailto:c.sun1@uq.edu.au">c.sun1@uq.edu.au</a><br> Web: <a href="http://web.aibn.uq.edu.au/cbn" target="_blank">http://web.aibn.uq.edu.au/cbn</a><br> **************************************************************<br> <br> ________________________________________<br> </div>From: Nicola Marzari [<a href="mailto:nicola.marzari@materials.ox.ac.uk">nicola.marzari@materials.ox.ac.uk</a>]<br> Sent: Thursday, 24 March 2011 10:03 AM<br> Cc: Chenghua Sun; PWSCF Forum<br> <div class="im">Subject: Re: [Pw_forum] graphite cell optimization failed<br> <br> </div><div><div></div><div class="h5">On 3/23/11 11:51 PM, Chenghua Sun wrote:<br> > Deal All,<br> ><br> > I didn't try QE4.3a yet, but I am wondering what is the theory basis for the first-principle vdW-DFT by 'vdW-DF' in QE 4.3a.<br> <br> See "physical review" papers from Dion/Thonhauser/Langreth/Langreth<br> <br> Any improvement compared with semiempirical vdW scheme? In additional,<br> is it applicable for all elements?<br> <br> I think so, but do not have extensive data. yes, it depends on the<br> charge density, not on the elements.<br> <br> nicola<br> <br> ----------------------------------------------------------------------<br> Prof Nicola Marzari Department of Materials University of Oxford<br> Chair of Materials Modelling Director, Materials Modelling Laboratory<br> <a href="mailto:nicola.marzari@materials.ox.ac.uk">nicola.marzari@materials.ox.ac.uk</a> <a href="http://mml.materials.ox.ac.uk/NM" target="_blank">http://mml.materials.ox.ac.uk/NM</a><br> _______________________________________________<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" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br> </div></div></blockquote></div><br><br clear="all"><br>-- <br><br>Mehmet Topsakal (Ph.D. Student)<br>UNAM-Institute of Materials Science and Nanotechnology.<br>Bilkent University. 06800 Bilkent, Ankara/Turkey<br>Tel: 0090 312 290 3527 ; Fax: 0090 312 266 4365<br> <a href="http://www.researcherid.com/rid/A-5015-2010" target="_blank">http://www.researcherid.com/rid/A-5015-2010</a><br><br> </div> _______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></blockquote></div><br><div apple-content-edited="true"> <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-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; 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