<div dir="ltr"><div>Respected Sir</div><div> Thanks for your help. It's working fine now. but why this message is printing</div><div><br> <br> LAPW1 END<br>[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] ) >& .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>" )<br><br> <br><br> LAPW1 END<br>[2] 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] ) >& .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>" )<br> sandy1(4) 177.277u 2.770s 45.84 392.73% 0+0k 0+0io 0pf+0w<br> sandy2(4) 178.460u 2.795s 49.60 365.40% 0+0k 0+0io 0pf+0w<br> Summary of lapw1para:<br> sandy1 k=4 user=177.277 wallclock=3143.13<br> sandy2 k=4 user=178.46 wallclock=3341.4<br>0.380u 0.267s 0:52.51 1.2% 0+0k 0+432io 2pf+0w</div><div><br></div><div>at the end of each lapw1.</div><div>regard</div><div>Sandeep Arora<br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Dec 27, 2021 at 12:01 AM Gavin Abo <<a href="mailto:gabo13279@gmail.com" target="_blank">gabo13279@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p><font face="Times New Roman">In the .bashrc file you posted, I
see:</font></p>
<p><font face="Times New Roman"># If not running interactively,
don't do anything<br>
case $- in<br>
*i*) ;;<br>
*) return;;<br>
esac<br>
</font></p>
<p><font face="Times New Roman">Have you check if that is returning
before WIENROOT is set which could lead to the "lapw1c: command
not found".</font></p>
<p><font face="Times New Roman">If that this the case, the post at
the following link may be helpful:<br>
</font></p>
<p><font face="Times New Roman"><a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18685.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18685.html</a><br>
</font></p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<div><br>
</div>
<div>On 12/26/2021 8:39 AM, SANDEEP ARORA
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>Dear wien2k user,</div>
<div> i have installed wien2k_21.1
in master node of a cluster consisting of two nodes only
without any compilation error. it's working fine with serial
calculations but when i tried it for k point parallel
calculations using test_case directory it gives following
error:</div>
<div> x lapw1 -p<br>
starting parallel lapw1 at Sunday 26 December 2021 08:08:15 PM
IST<br>
-> starting parallel LAPW1 jobs at Sunday 26 December 2021
08:08:15 PM IST<br>
running LAPW1 in parallel mode (using .machines)<br>
2 number_of_parallel_jobs<br>
[1] 6521<br>
[2] 6568<br>
bash: lapw1c: command not found<br>
bash: fixerror_lapw: command not found<br>
[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] ) >& .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>" )<br>
bash: lapw1c: command not found<br>
bash: fixerror_lapw: command not found<br>
[2] 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] ) >& .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>" )<br>
sandy1(1) 0.000u 0.000s 0 0.00% 0+0k 0+0io 0pf+0w<br>
sandy2(1) 0.000u 0.000s 0 0.00% 0+0k 0+0io 0pf+0w<br>
test_case.scf1_1: No such file or directory.<br>
Summary of lapw1para:<br>
sandy1 k=1 user=0 wallclock=0<br>
sandy2 k=1 user=0 wallclock=0<br>
0.196u 0.147s 0:03.10 10.6% 0+0k 248+376io 4pf+0w</div>
<div><br>
</div>
<br>
<div>echo $WIENROOT/lapw1c provides <br>
</div>
<div>/home/sandy/WIEN2k_21.1/lapw1c</div>
<div>in both the nodes.</div>
<div>non-parallel calculations in individual nodes is running
successfully <br>
</div>
<div>
<div>i have followed all instructions as mentioned in <br>
</div>
<div><a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19056.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19056.html</a>
<br>
</div>
<div>but didn't get a solution. <br>
</div>
<div>.bashrc file is attached herewith.</div>
<div>however when login passwordless through ssh it gives <br>
</div>
<div><br>
</div>
<div>Welcome to Ubuntu 20.04.3 LTS (GNU/Linux
5.11.0-43-generic x86_64)<br>
<br>
* Documentation: <a href="https://help.ubuntu.com" target="_blank">https://help.ubuntu.com</a><br>
* Management: <a href="https://landscape.canonical.com" target="_blank">https://landscape.canonical.com</a><br>
* Support: <a href="https://ubuntu.com/advantage" target="_blank">https://ubuntu.com/advantage</a><br>
<br>
0 updates can be applied immediately.<br>
<br>
Your Hardware Enablement Stack (HWE) is supported until
April 2025.<br>
Last login: Sun Dec 26 20:20:17 2021 from 192.168.1.9<br>
/home/sandy/.profile was read<br>
/home/sandy/.bashrc was read<br>
:: WARNING: setvars.sh has already been run. Skipping
re-execution.<br>
To force a re-execution of setvars.sh, use the '--force'
option.<br>
Using '--force' can result in excessive use of your
environment variables.</div>
<div>plz suggest any solution.</div>
<div> </div>
<div>thanks</div>
<div>Sandeep Arora<br>
</div>
</div>
</div>
</blockquote>
<pre></pre>
</div>
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