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<p>If you run the following commands and let us know what you get as
outputs, it might help with troubleshooting the issue. The
outputs I get on my system are shown for reference.</p>
<p><br>
</p>
<p>username@computername:~$ cd ~<br>
username@computername:~$ which siteconfig_lapw<br>
/home/username/WIEN2k/siteconfig_lapw<br>
username@computername:~$ echo $WIENROOT<br>
/home/username/WIEN2k<br>
username@computername:~$ ls -al $WIENROOT/SRC_dstart/dstart_mpi<br>
-rwxrwxr-x 1 username username 1316048 Oct 9 20:18
/home/username/WIEN2k/SRC_dstart/dstart_mpi<br>
username@computername:~$ ls -al $WIENROOT/dstart_mpi<br>
-rwxrwxr-x 1 username username 1316048 Oct 9 20:18
/home/username/WIEN2k/dstart_mpi</p>
<p><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 10/9/2025 11:25 AM, delamora wrote:<br>
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<blockquote type="cite"
cite="mid:BY5PR06MB66767189E8436C565FF8A2E7CBEEA@BY5PR06MB6676.namprd06.prod.outlook.com">
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Thank you Dr. Blaha,</div>
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Yes, you're right, actually I got two error</div>
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<br>
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1:</div>
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cp: no se puede crear el fichero regular
'/home/pablo/Descargas/Temp/WIEN2K/lapw5': Permiso denegado
=> the regular file cannot be created ... permit denied</div>
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SRC_lapw5/lapw5c</div>
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cp: no se puede crear el fichero regular 'lapw5c': Permiso
denegado</div>
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<br>
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2:</div>
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cp: no se puede crear el fichero regular
'/home/pablo/Descargas/Temp/WIEN2K/dstart': Permiso denegado</div>
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SRC_dstart/dstart_mpi</div>
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cp: no se puede crear el fichero regular 'dstart_mpi': Permiso
denegado</div>
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<br>
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I don't understand why I get; 'permit denied' if I have all
privileges (I run ./siteconfig_lapw in my working directory)</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif"
style="font-size:11pt" color="#000000"><b>De:</b> Wien
<a class="moz-txt-link-rfc2396E" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"><wien-bounces@zeus.theochem.tuwien.ac.at></a> en nombre de
Peter Blaha <a class="moz-txt-link-rfc2396E" href="mailto:peter.blaha@tuwien.ac.at"><peter.blaha@tuwien.ac.at></a><br>
<b>Enviado:</b> jueves, 9 de octubre de 2025 01:36 a. m.<br>
<b>Para:</b> <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a><br>
<b>Asunto:</b> Re: [Wien] Compiling error</font>
<div> </div>
</div>
<div class="BodyFragment"><font size="2"><span
style="font-size:11pt;">
<div class="PlainText">Your dstart has not been compiled
correctly. Check compile.msg (if you
<br>
have used siteconfig).<br>
<br>
Am 09.10.2025 um 06:37 schrieb delamora:<br>
> Dear Gavin,<br>
> I just corrected errors inside some files (manually),
after compiling <br>
> with ./siteconfig<br>
> I did not get any errors<br>
> <br>
> Then I started the calculation of Na, and the
"inicialize" went fine<br>
> then I put "run" in the terminal and I got the
message;<br>
> <br>
> no Na.clmsum(_old) file found, which is necessary for
lapw0<br>
> <br>
> So I could not run Na<br>
> <br>
> Saludos<br>
> <br>
> Pablo<br>
>
------------------------------------------------------------------------<br>
> I sent this message to the wrong address<br>
> *Para:* Wien
<a class="moz-txt-link-rfc2396E" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"><wien-bounces@zeus.theochem.tuwien.ac.at></a><br>
> <br>
> Dear Gavin,<br>
> Thank for your answer, but I still have the problem;<br>
> <br>
> after<br>
> run ./siteconfig_lapw<br>
> I selected Compiler options and I typed -O0 -FR
-mp1 -w -prec_div - <br>
> pc80 -pad -ip -DINTEL_VML -traceback -assume
buffered_io -I$(MKLROOT)/ <br>
> include<br>
> the Compile/Recompile and All<br>
> the outcome is as follow<br>
> inside:<br>
> <br>
> SRC_dstart<br>
> make[1]: se entra en el directorio
'/home/pablo/Descargas/WIEN2k/SRC_dstart'<br>
> mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback - <br>
> assume buffered_io -I(MKLROOT)/include -DParallel -c
module.F<br>
> /bin/sh: -c: línea 1: error sintáctico cerca del
elemento inesperado `('<br>
> <br>
> SRC_hf<br>
> make[1]: se entra en el directorio
'/home/pablo/Descargas/WIEN2k/SRC_hf'<br>
> modules.F: COMPLEX version extracted<br>
> mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback - <br>
> assume buffered_io -I-DFFTW3
-I/home/pablo/Descargas/fftw/include <br>
> (MKLROOT)/include -DParallel -c modules_tmp_.F<br>
> /bin/sh: -c: línea 1: error sintáctico cerca del
elemento inesperado `('<br>
> /bin/sh: -c: línea 1: `mpiifx -O0 -FR -mp1 -w
-prec_div -pc80 -pad -ip - <br>
> DINTEL_VML -traceback -assume buffered_io -I-DFFTW3
-I/home/pablo/ <br>
> Descargas/fftw/include (MKLROOT)/include -DParal<br>
> lel -c modules_tmp_.F'<br>
> <br>
> the same with<br>
> <br>
> SRC_lapw1<br>
> <br>
> SRC_lapw2<br>
> <br>
> SRC_lapwso<br>
> <br>
> SRC_nlvdw<br>
> <br>
> ------------------<br>
> Saludos<br>
> <br>
> Pablo<br>
> <br>
> -----------------------<br>
> <br>
> *De:* Wien
<a class="moz-txt-link-rfc2396E" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"><wien-bounces@zeus.theochem.tuwien.ac.at></a> en nombre
de Gavin <br>
> Abo <a class="moz-txt-link-rfc2396E" href="mailto:gabo13279@gmail.com"><gabo13279@gmail.com></a><br>
> *Enviado:* viernes, 3 de octubre de 2025 12:19 p. m.<br>
> *Para:* <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a><br>
> *Asunto:* Re: [Wien] Compiling error<br>
> <br>
> The $ looks like it is missing in your compile
options, where you have:<br>
> <br>
> <br>
> -I(MKLROOT)/include<br>
> <br>
> <br>
> It should be:<br>
> <br>
> <br>
> -I$(MKLROOT)/include<br>
> <br>
> <br>
> Kind Regards,<br>
> <br>
> Gavin<br>
> <br>
> WIEN2k user<br>
> <br>
> <br>
> On 10/3/2025 12:09 PM, delamora wrote:<br>
> <br>
> I just updated my OS I moved to fedora 42<br>
> I installed intel compiler suite 2025.2.1<br>
> I applied the patches <a
href="https://github.com/gsabo/WIEN2k-Patches/tree/"
moz-do-not-send="true" class="moz-txt-link-freetext">
https://github.com/gsabo/WIEN2k-Patches/tree/</a><br>
> master/24.1 <<a
href="https://github.com/gsabo/WIEN2k-Patches/tree/master/24.1"
moz-do-not-send="true" class="moz-txt-link-freetext">https://github.com/gsabo/WIEN2k-Patches/tree/master/24.1</a>><br>
> <br>
> after finish ./siteconfig_lapaw<br>
> <br>
> I got this message in SRC_dstart/compile.msg<br>
> <br>
> FORT=mpiifx FFLAGS=' -O0 -FR -mp1 -w -prec_div
-pc80 -pad -ip -<br>
> DINTEL_VML -traceback -assume buffered_io
-I(MKLROOT)/include '-<br>
> DParallel''<br>
> make[1]: se entra en el directorio
'/home/pablo/Descargas/WIEN2k/<br>
> SRC_dstart'<br>
> mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -<br>
> traceback -assume buffered_io
-I(MKLROOT)/include -DParallel -c module.F<br>
> /bin/sh: -c: línea 1: error sintáctico cerca del
elemento inesperado `('<br>
> /bin/sh: -c: línea 1: `mpiifx -O0 -FR -mp1 -w
-prec_div -pc80 -pad -<br>
> ip -DINTEL_VML -traceback -assume buffered_io
-I(MKLROOT)/include -<br>
> DParallel -c module.F'<br>
> make[1]: *** [Makefile:139: module.o] Error 2<br>
> make[1]: se sale del directorio
'/home/pablo/Descargas/WIEN2k/<br>
> SRC_dstart'<br>
> make: *** [Makefile:93: para] Error 2<br>
> <br>
> Saludos<br>
> <br>
> Pablo<br>
> <br>
> <br>
> _______________________________________________<br>
> Wien mailing list<br>
> <a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
> <a
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
moz-do-not-send="true" class="moz-txt-link-freetext">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"
moz-do-not-send="true" class="moz-txt-link-freetext">
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>
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a><br>
WWW: <a href="http://www.imc.tuwien.ac.at"
moz-do-not-send="true" class="moz-txt-link-freetext">http://www.imc.tuwien.ac.at</a>
WIEN2k:
<a href="http://www.wien2k.at" moz-do-not-send="true"
class="moz-txt-link-freetext">http://www.wien2k.at</a><br>
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