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Prof Blaha,</div>
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Thank for your reply</div>
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When I ran the "<font size="2"><span style="font-size:11pt">siteconfig</span></font>" it would run without stoping not allowing me to compile the program, but now it does stop and it allows me to compile</div>
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<br>
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But there is something wrong in my computer in the earlier 17.1 version<br>
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I try to run a system and it stops just after LAPW0;</div>
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[pablo@delamora Na-prueb]$ run
<div> LAPW0 END</div>
<div>SECLR4 - Error</div>
<div>grep: lapw2*.error: No such file or directory</div>
<div><br>
</div>
<div>> stop error</div>
<div>[pablo@delamora Na-prueb]$ more lapw1.error </div>
<div> Cholesky INFO = 87</div>
<div> 'SECLR4' - POTRF (Scalapack/LAPACK) failed.</div>
<div>[pablo@delamora Na-prueb]$ <br>
</div>
<div>--------------------------------------</div>
<div>So what are these errors? It seems that <br>
</div>
<div>Scalapack/LAPACK</div>
<div>has been corrupted</div>
<div><br>
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<div>Pablo<br>
</div>
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<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <peter.blaha@tuwien.ac.at><br>
<b>Enviado:</b> martes, 7 de marzo de 2023 06:13 a. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at><br>
<b>Asunto:</b> Re: [Wien] compiling the WIEN2k 23.1 version</font>
<div> </div>
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<div class="PlainText">> I downloaded the WIEN2k 23.1 version<br>
> I followed the instructions<br>
> <br>
> ......<br>
> <br>
> ./expand_lapw<br>
> <br>
> .siteconfig_lapw -update ../WIEN2k-21.1/<br>
> <br>
> but I did not compile it<br>
> so I restarted the procedure from the begining and when I came to this <br>
> last command<br>
> <br>
> .siteconfig_lapw -update ../WIEN2k-21.1/<br>
> <br>
> it was executed in one step, but I could not compile the program<br>
> So my question is how I compile it<br>
<br>
?????<br>
You should come into the main menue of siteconfig. Then just press<br>
R (compile/recompile).<br>
<br>
Make sure that ../WIEN2k-21.1 still contains proper WIEN2k_* <br>
configuration files.<br>
<br>
> <br>
> Pablo<br>
> <br>
> _______________________________________________<br>
> Wien mailing list<br>
> Wien@zeus.theochem.tuwien.ac.at<br>
> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" data-auth="NotApplicable">
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
> SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" data-auth="NotApplicable">
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
<br>
-- <br>
--------------------------------------------------------------------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300<br>
Email: peter.blaha@tuwien.ac.at WIEN2k: <a href="http://www.wien2k.at" data-auth="NotApplicable">
http://www.wien2k.at</a><br>
WWW: <a href="http://www.imc.tuwien.ac.at" data-auth="NotApplicable">http://www.imc.tuwien.ac.at</a><br>
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