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<p>Looks like it cannot find lapw1.</p>
<p><br>
</p>
<p>In a terminal, check if it is in the WIENROOT directory, for
example:<br>
</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ ls -l $WIENROOT/lapw1<br>
-rwxrwxr-x 1 username username 2371608 Jul 14 2023
/home/username/WIEN2k/lapw1<br>
</p>
<p><br>
</p>
<p>Check what your WIENROOT location is. For example on my system,
it is:<br>
</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ echo $WIENROOT<br>
/home/username/WIEN2k</p>
<p><br>
</p>
<p>You should be able use the location to check if it is in your
PATH, for example:<br>
</p>
<p><br>
</p>
<p>username@computername:~/Desktop$ echo $PATH | grep -o
'/home/username/WIEN2k:'<br>
/home/username/WIEN2k:<br>
/home/username/WIEN2k:<br>
<br>
</p>
<p>With a parallel calculation, it might not be finding it on a
compute node. On some systems, you might be able to ssh into each
node from the terminal and use the same commands. Some systems
maybe do not allow that. In which case, your admin might have to
check it for you. Or you might be able to utilize the commands in
your job script.<br>
</p>
<p><br>
</p>
<p>Hope that helps,</p>
<p>Gavin</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 1/14/2025 5:24 PM, delamora wrote:<br>
</div>
<blockquote type="cite"
cite="mid:BY5PR06MB66765649BC14276AB30C40EDCB192@BY5PR06MB6676.namprd06.prod.outlook.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div class="elementToProof"
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Professor Laurie,</div>
<div class="elementToProof"
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Thank you for your answer,</div>
<div class="elementToProof"
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
where can I check the PATH ?</div>
<div class="elementToProof"
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof"
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Pablo</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<hr style="display: inline-block; width: 98%;">
<div id="divRplyFwdMsg" dir="ltr">
<div class="elementToProof"
style="font-family: Calibri, sans-serif; font-size: 11pt; color: rgb(0, 0, 0);">
<b><br>
</b></div>
</div>
<div style="direction: ltr;">I think "<span
style="font-family: aptos, aptos_embeddedfont, aptos_msfontservice, calibri, helvetica, sans-serif; font-size: 16px;">orden
no encontrada" translates as "command not found", i.e. your
PATH is wrong or similar.</span></div>
<div style="direction: ltr;"><br>
</div>
<div style="direction: ltr;">---<br>
Emeritus Professor Laurence Marks (Laurie)<br>
<a href="http://www.numis.northwestern.edu"
id="OWA6387dcd1-f026-74e5-2652-a5924558f2d9"
class="OWAAutoLink" data-auth="NotApplicable"
moz-do-not-send="true">www.numis.northwestern.edu</a><br>
<a
href="https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en"
id="OWA048b5c4a-3cc1-78ae-4933-4f7e26d57178"
class="OWAAutoLink" data-auth="NotApplicable"
moz-do-not-send="true">https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en</a><br>
"Research is to see what everybody else has seen, and to think
what nobody else has thought" Albert Szent-Györgyi</div>
<div style="direction: ltr;"><br>
</div>
<div style="direction: ltr;">On Mon, Jan 13, 2025, 18:45 delamora
<<a href="mailto:delamora@unam.mx"
id="OWA2aaba7b8-b450-f9fe-9c32-18a998897eb0"
class="OWAAutoLink moz-txt-link-freetext"
moz-do-not-send="true">delamora@unam.mx</a>> wrote:</div>
<blockquote
style="margin: 0px 0px 0px 0.8ex; padding-left: 1ex; border-left: 1px solid rgb(204, 204, 204);">
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Dear WIEN2k users,</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
I installed</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Debian 12</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
and WIEN2k seems to run fine, but running in parallel it does
not work;</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Running in parallel it gives;</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
---------------------------</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
run -p</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
LAPW0 END</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: lapw1: orden no encontrada *** order not found</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
--------------</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: fixerror_lapw: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
[1] Fin ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdout1_$loop; if ( -f
.stdout1_$loop ) bashtime2csh.pl_lapw .stdout1_$loop >
.temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep
-v \% .temp1_$loop | perl -e "print stderr <STDIN>" )</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: lapw1: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: fixerror_lapw: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
[2] Fin ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdout1_$loop; if ( -f
.stdout1_$loop ) bashtime2csh.pl_lapw .stdout1_$loop >
.temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep
-v \% .temp1_$loop | perl -e "print stderr <STDIN>" )</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: lapw1: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: fixerror_lapw: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: lapw1: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
bash: línea 1: fixerror_lapw: orden no encontrada</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
[4] - Fin ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdout1_$loop; if ( -f
.stdout1_$loop ) bashtime2csh.pl_lapw .stdout1_$loop >
.temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep
-v \% .temp1_$loop | perl -e "print stderr <STDIN>" )</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
[3] + Fin ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdout1_$loop; if ( -f
.stdout1_$loop ) bashtime2csh.pl_lapw .stdout1_$loop >
.temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep
-v \% .temp1_$loop | perl -e "print stderr <STDIN>" )</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
MnO.scf1_1: No existe el fichero o el directorio. *** file
and directory do not exist</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
--------------</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
grep: *scf1*: No existe el fichero o el directorio</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
FERMI - Error</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
cp: no se puede efectuar `stat' sobre '.in.tmp': No existe el
fichero o el directorio</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
grep: *scf1*: No existe el fichero o el directorio</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Saludos</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div
style="direction: ltr; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Pablo</div>
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</blockquote>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre wrap="" class="moz-quote-pre">_______________________________________________
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</pre>
</blockquote>
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