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<p><font face="Times New Roman">If you are not using the WIEN2k 19.1
patches to opticpara_lapw and joint.f, refer to the README at
[1], you may want to try them to see if they improve the
behavior.</font></p>
<p><font face="Times New Roman">Your optic.def file has:</font></p>
<p><font face="Times New Roman"><font color="#ff0000">./case</font>.symmat<br>
</font></p>
<p><font face="Times New Roman">It looks like your w2web output has:</font></p>
<p><font face="Times New Roman">cat: <font color="#ff0000">.case</font>.symmat_1:
No such file or directory<br>
</font></p>
<p><font face="Times New Roman">The "/" missing in the second path
above might point to a problem with the SCRATCH variable. It
might be how the variable is set in .bashrc. If you are using a
queue system (such as qsub) and/or parallel program (such a
mpirun) that most parallel calculations use, it might also be
that the variables are not be propagated to the environment
[2,3]. The "/" missing might also point to a bug in the </font><font
face="Times New Roman"><font face="Times New Roman">opticpara_lapw
script</font>.</font></p>
<p><font face="Times New Roman">The "</font><font face="Times New
Roman"><font face="Times New Roman">No such file or directory</font>"
might also point to a node or filesystem problem. <br>
</font></p>
<p><font face="Times New Roman">In addition, it might also be that a
preceding step in your calculation failed earlier producing bad
input file(s) to optic such that optic was unable to create the
necessary case.symmat files [4]. The WIEN2k 19.1 usersguide [5]
has nice tables such as "Table 4.2: Input and output files of
utility programs" on page 35 as what to expect for input and
output files from the WIEN2k programs such as optic.<br>
</font></p>
[1] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/mpi-developer-reference-linux-global-options">https://software.intel.com/en-us/mpi-developer-reference-linux-global-options</a><br>
[4]
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-August/015254.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-August/015254.html</a><br>
[5]
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a><br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 2/14/2020 10:44 AM, Peeyush kumar
kamlesh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+o1xQc1-a03xmHZ-fWQVPGhM8mg1qVf2n5CNXfHwdwwviyEQw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Sir,
<div>Greetings!<br>
<div>Problem still exists. Error is appearing during running
JOINT. Details of optic.def file as follows:</div>
</div>
<div><br>
</div>
<div>
<p style="margin-bottom:0cm;line-height:100%">4,
'./case.mommat2'
, 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">5, 'case.inop' ,
'OLD', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">6,
'case.outputop' , 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">3,
'./case.symmat' , 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">13,
'./case.symma1' , 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">14,
'./case.symma2' , 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">9,
'./case.mat_diag'
, 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">10,'./case.vector'
, 'OLD', 'UNFORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">11,'./case.vectordn'
, 'UNKNOWN' , 'UNFORMATTED' ,0</p>
<p style="margin-bottom:0cm;line-height:100%">18,'case.vsp' ,
'OLD', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">19,'case.vspdn'
, 'UNKNOWN' , 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">20,'case.struct'
, 'OLD', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">28,'case.inso' ,
'UNKNOWN', 'FORMATTED' , 0</p>
<p style="margin-bottom:0cm;line-height:100%">24,'./case.mme'
, 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">25,'case.symop'
, 'UNKNOWN', 'FORMATTED', 0</p>
<p style="margin-bottom:0cm;line-height:100%">30,'case.inc',
'UNKNOWN', 'formatted',0</p>
<p style="margin-bottom:0cm;line-height:100%">35,'case.corewf',
'UNKNOWN','formatted',0</p>
<p style="margin-bottom:0cm;line-height:100%">36,'case.corewfdn',
'UNKNOWN','formatted',0</p>
<p style="margin-bottom:0cm;line-height:100%">40,'case.pmat',
'UNKNOWN', 'FORMATTED', 0</p>
</div>
<div><br>
</div>
<div>Kindly help me in solving this issue. </div>
<div>Best regards!</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Feb 14, 2020 at 5:41
PM Peeyush kumar kamlesh <<a
href="mailto:peeyush.physik.rku@gmail.com" target="_blank"
moz-do-not-send="true">peeyush.physik.rku@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 dir="ltr">
<div> Dear Blaha Sir,</div>
<div>When I run JOINT it is showing following error:</div>
<div><br>
</div>
<div>'JOINT' - can't open unit: 3
</div>
'JOINT' - filename: ./KScC.symmat
<br>
<div> 'JOINT' - status: OLD form: FORMATTED <br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Best Regards </div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Feb 14, 2020 at
12:07 AM Peeyush kumar kamlesh <<a
href="mailto:peeyush.physik.rku@gmail.com"
target="_blank" moz-do-not-send="true">peeyush.physik.rku@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 dir="ltr">Dear Sir,<br>
<div>Thank you so much for you kind reply. I did not try
joint. If it looks OK then i can try for joint and
kram.</div>
<div><br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Thu, Feb 13, 2020
at 11:42 PM Peeyush kumar kamlesh <<a
href="mailto:peeyush.physik.rku@gmail.com"
target="_blank" moz-do-not-send="true">peeyush.physik.rku@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 dir="ltr">
<div>Dear Blaha Sir and Gavin Sir,</div>
<div>I am using WIEN2k_19.1. I read the previous
problems. But I am unable to find out the solution
of my problem. Kindly look into it</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Thu, Feb 13,
2020 at 1:16 AM Peeyush kumar kamlesh <<a
href="mailto:peeyush.physik.rku@gmail.com"
target="_blank" moz-do-not-send="true">peeyush.physik.rku@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 dir="ltr">
<div>Sir,</div>
<div>When I run the following command, I get
error in its execution. Error is as follows:<br>
</div>
<div><br>
</div>
<div>Commandline: <b>x optic -p </b><br>
Program input is: <b>""</b></div>
<div> <span></span>
<pre>running OPTIC in parallel mode
[1] 5101
[2] 5108
[3] 5132
[4] 5137
OPTIC END
OPTIC END
OPTIC END
OPTIC END
[4] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >> ...
[3] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >> ...
[2] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >> ...
[1] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) >> ...
Summary of opticpara:
localhost user=0 wallclock=40716
cat: .case.symmat_1: No such file or directory
cat: .case.symma1_1: No such file or directory
cat: .case.symma2_1: No such file or directory
cat: .case.mat_diag_1: No such file or directory
cat: .case.mme_1: No such file or directory
rm: cannot remove '.case.symmat_1': No such file or directory
rm: cannot remove '.case.mat_diag_1': No such file or directory
rm: cannot remove '.case.mme_1': No such file or directory
tail: cannot open '.case.symmat_2' for reading: No such file or directory
tail: cannot open '.case.symma1_2' for reading: No such file or directory
tail: cannot open '.case.symma2_2' for reading: No such file or directory
tail: cannot open '.case.mat_diag_2' for reading: No such file or directory
tail: cannot open '.case.mme_2' for reading: No such file or directory
rm: cannot remove '.case.symmat_2': No such file or directory
rm: cannot remove '.case.mat_diag_2': No such file or directory
rm: cannot remove '.case.mme_2': No such file or directory
tail: cannot open '.case.symmat_3' for reading: No such file or directory
tail: cannot open '.case.symma1_3' for reading: No such file or directory
tail: cannot open '.case.symma2_3' for reading: No such file or directory
tail: cannot open '.case.mat_diag_3' for reading: No such file or directory
tail: cannot open '.case.mme_3' for reading: No such file or directory
rm: cannot remove '.case.symmat_3': No such file or directory
rm: cannot remove '.case.mat_diag_3': No such file or directory
rm: cannot remove '.case.mme_3': No such file or directory
tail: cannot open '.case.symmat_4' for reading: No such file or directory
tail: cannot open '.case.symma1_4' for reading: No such file or directory
tail: cannot open '.case.symma2_4' for reading: No such file or directory
tail: cannot open '.case.mat_diag_4' for reading: No such file or directory
tail: cannot open '.case.mme_4' for reading: No such file or directory
rm: cannot remove '.case.symmat_4': No such file or directory
rm: cannot remove '.case.mat_diag_4': No such file or directory
rm: cannot remove '.case.mme_4': No such file or directory
145.7u 3.8s 1:48.68 137.6% 0+0k 5932576+404504io 35pf+0w
</pre>
<pre>Kindly suggest the solution.
</pre>
<pre>Best regards!</pre>
</div>
</div>
</blockquote>
</div>
</div>
</blockquote>
</div>
</blockquote>
</div>
</blockquote>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CA+o1xQc1-a03xmHZ-fWQVPGhM8mg1qVf2n5CNXfHwdwwviyEQw@mail.gmail.com"></blockquote>
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