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<blockquote type="cite"
cite="mid:VI1PR0702MB3566CF788351287237947954F75CA@VI1PR0702MB3566.eurprd07.prod.outlook.com">
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
it crashed with the message "<span
style="font-family:monospace" class="ContentPasted1">Host key
verification failed.
</span>"<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
</blockquote>
<p>Seems that your cluster does not allow ssh to an allocated
node.(Ask your sys admin).</p>
<p>In $WIENROOT/WIEN2k_parallel_options there are variables like</p>
<p>USE_REMOTE. If set to zero, ssh is not used and you can run in
parallel, but only on one shared memory node.</p>
<p>In order to use multiple nodes, you need to be able to do
passwordless ssh to the allocated nodes (or any other command
substituting ssh).<br>
</p>
<p><br>
</p>
<blockquote type="cite"
cite="mid:VI1PR0702MB3566CF788351287237947954F75CA@VI1PR0702MB3566.eurprd07.prod.outlook.com">
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Here<span style="font-family:monospace" class="elementToProof"><span
style="color: rgb(0, 0, 0); background-color: rgb(255, 255,
255);"> the content of file
/lustre/ukt/milias/scratch/Wien2k_23.2_job.main.N1.n4.jid3009460/LvO2onQg/.machines:</span></span><br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span style="font-family:monospace" class="elementToProof"></span></div>
<span style="font-family:monospace" class="elementToProof">1:lxbk1177
<br>
1:lxbk1177 <br>
1:lxbk1177 <br>
1:lxbk1177 <br>
1:lxbk1177 <br>
1:lxbk1177 <br>
1:lxbk1177 <br>
1:lxbk1177 <br>
</span><span style="font-family:monospace" class="elementToProof"></span>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
Job is running on lxbk1177, with 8 cpus allocated;<br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
and this is from log :</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<span style="font-family:monospace" class="elementToProof">running
x dstart : <br>
starting parallel dstart at Tue 20 Jun 2023 05:16:21 PM CEST <br>
-------- .machine0 : processors <br>
running dstart in single mode <br>
STOP DSTART ENDS <br>
10.249u 0.322s 0:11.19 94.3% 0+0k 158496+101160io 437pf+0w <br>
<br>
running 'run_lapw -p -ec 0.0001 -NI' <br>
STOP LAPW0 END <br>
Host key verification failed. <br>
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe ${def}_$loop.def
;fixerr<br>
or_lapw ${def}_$loop"; rm -f .lock_$lockfile[$p] ) >&
.stdout1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .<br>
temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; grep -v
\% .temp1_$loop | perl -e "print stderr <STDIN>" )
<br>
Host key verification failed.<br>
<span class="ContentPasted2"><span style="color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="ContentPasted2">[1] + Done
( ( $remote $machine[$p] "cd
$PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe ${def}_$loop.def
;fixerror_lapw ${def}_$loop"; rm -f .lock_$lockfile[$p] )
>& .stdo</span><br class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] + Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
Host key verification failed. <br class="ContentPasted2">
[1] Done ( ( $remote $machine[$p]
"cd $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe
${def}_$loop.def ;fixerror_lapw ${def}_$loop"; rm -f
.lock_$lockfile[$p] ) >& .stdo<br
class="ContentPasted2">
ut1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw
.stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop
>> .time1_$loop; grep -v \% .temp1_$loop | perl -e
"print stderr <STDIN>" )
<br class="ContentPasted2">
LvO2onQg.scf1_1: No such file or directory. <br
class="ContentPasted2">
grep: *scf1*: No such file or directory <br
class="ContentPasted2">
STOP FERMI - Error <br class="ContentPasted2">
cp: cannot stat '.in.tmp': No such file or directory <br
class="ContentPasted2">
grep: *scf1*: No such file or directory <br
class="ContentPasted2">
<br class="ContentPasted2">
> stop error<br class="ContentPasted2">
</span></span><span style="font-family:monospace"
class="elementToProof"><span class="ContentPasted2"></span></span>
<div><br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<span style="font-family:monospace"><span style="color: rgb(0,
0, 0); background-color: rgb(255, 255, 255);"
class="ContentPasted4">file ":parallel"</span><br
class="ContentPasted4">
</span></div>
<div class="elementToProof" style="font-family: Calibri, Arial,
Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">
<br>
</div>
<div class="elementToProof"><span style="font-family:monospace"
class="ContentPasted3"><span style="color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="ContentPasted3">starting parallel lapw1 at Tue 20 Jun
2023 05:17:08 PM CEST
</span><br class="ContentPasted3">
lxbk1177(4) lxbk1177(3) lxbk1177(3)
lxbk1177(3) lxbk1177(3) lxbk1177(3)
lxbk1177(3) l<br class="ContentPasted3">
xbk1177(3) Summary of lapw1para: <br
class="ContentPasted3">
lxbk1177 k=25 user=0 wallclock=0 <br
class="ContentPasted3">
<- done at Tue 20 Jun 2023 05:17:14 PM CEST <br
class="ContentPasted3">
----------------------------------------------------------------- <br
class="ContentPasted3">
-> starting Fermi on lxbk1177 at Tue 20 Jun 2023 05:17:15
PM CEST <br class="ContentPasted3">
** LAPW2 crashed at Tue 20 Jun 2023 05:17:16 PM CEST <br
class="ContentPasted3">
** check ERROR FILES! <br class="ContentPasted3">
-----------------------------------------------------------------<br
class="ContentPasted3">
<br class="ContentPasted3">
</span><br>
</div>
<div class="elementToProof"><br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
ContentPasted0">
<br>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Wien mailing list
<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-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext" href="http://www.imc.tuwien.ac.at">http://www.imc.tuwien.ac.at</a> WIEN2k: <a class="moz-txt-link-freetext" href="http://www.wien2k.at">http://www.wien2k.at</a>
-------------------------------------------------------------------------</pre>
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