<div dir="ltr">Dear Gavin Sir,<br><div>1. I tried with opticpara_lapw.patch but problem is still same.</div><div>2. w2web output has <span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap">.case.symmat_1 file.</span></div><div><span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap">3. in </span><span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px">.bashrc file SCRATCH is set to ./</span></div><div><span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px">4. I am using parallel calculation and my .machine file is as follows:</span></div><div># <br>100:localhost<br>100:localhost<br>100:localhost<br>100:localhost<br>granularity:1<br>extrafine:1<br>#<br># Uncomment for specific OMP-parallelization (overwriting a global OMP_NUM_THREADS)<br>#<br>#omp_global:4<br># or use program-specific parallelization:<br>#omp_lapw0:4<br>#omp_lapw1:4<br>#omp_lapw2:4<br>#omp_lapwso:4<br>#omp_dstart:4<br>#omp_sumpara:4<br>#omp_nlvdw:4<span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px"><br></span></div><div><br></div><div>5. No error was found in All previous steps. DOS and bandstructure gave satisfactory results.</div><div><br></div><div>So what can be the solution?</div><div><br></div><div>Best regards</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Feb 15, 2020 at 10:07 PM Peeyush kumar kamlesh <<a href="mailto:peeyush.physik.rku@gmail.com">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">Thank you Gavin Sir and <a href="https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22" rel="nofollow" style="color:rgb(102,102,102);font-size:13px;outline:0px;text-decoration-line:none;font-family:helvetica,arial,sans-serif" target="_blank">Laurence Marks</a> sir,<div>I will try to do it as per your instructions. Then I will tell you.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Feb 15, 2020 at 7:34 AM Peeyush kumar kamlesh <<a href="mailto:peeyush.physik.rku@gmail.com" target="_blank">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 <a href="https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22" rel="nofollow" style="outline:0px;color:rgb(102,102,102);text-decoration-line:none;font-family:helvetica,arial,sans-serif;font-size:13px" target="_blank">Laurence Marks</a> Sir,<div>Thank you so much for replying to my email. And I am sorry for providing the different name of directory, it is my fault. But the name of directory in wien2k is same for all calculations. I am using Wien2k_19.1. Do I need to update it or any here is any other error?</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Feb 14, 2020 at 11:14 PM Peeyush kumar kamlesh <<a href="mailto:peeyush.physik.rku@gmail.com" target="_blank">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">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">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">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">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">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<br><br></pre><pre>Kindly suggest the solution.<br><br></pre><pre>Best regards! <br></pre>
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