<div dir="ltr"><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/df58b924a7e90d75f5417ae479554909953b6a52.png?u=1969977"><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Dear all</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">i tried to open <a href="http://pw.in">pw.in</a> file using xcrysden-1.5.60 semishared version but i got following error message </div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Error: an error occured while trying to update a structure; error reading file /tmp/xc_2436/xc_struc.2436.</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style=""><b style="color:rgb(0,0,0);font-family:tahoma,sans-serif;font-size:x-small">But the same input file is working with lower version (xcrys-1.5.53 semishared) perfectly. i have enclosed the input </b><font color="#000000" face="tahoma, sans-serif" size="1"><b>file</b></font><b style="color:rgb(0,0,0);font-family:tahoma,sans-serif;font-size:x-small"> and error </b><font color="#000000" face="tahoma, sans-serif" size="1"><b>message</b></font><b style="color:rgb(0,0,0);font-family:tahoma,sans-serif;font-size:x-small"> i got in terminal. how can i </b><font color="#000000" face="tahoma, sans-serif" size="1"><b>solve</b></font><b style="color:rgb(0,0,0);font-family:tahoma,sans-serif;font-size:x-small"> this problem?</b></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><b>( of-course i can use the working version 1.5.53 )</b></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> Running on platform : unix</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> Operating system : Linux</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Package ImageMagick's convert: /usr/bin/convert</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Package ImageMagick's import: /usr/bin/import</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Package Mencoder: /usr/bin/mencoder</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Package Ppmtompeg: /usr/bin/ppmtompeg</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Package Xwd: /usr/bin/xwd</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/ftnunit</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">TEXT-WIDGET: .a1.f1.t</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Executing: sh /home/vallin59/scratch/.xcrysden-1.5.60/scripts/pwi2xsf.sh /bigdata/MD/vallin59/hydra_home/qe-6.1/0-run/0-mos2/<a href="http://relax.in">relax.in</a></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">reading PRIMCOORD</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Number of Atoms: 0</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Number of Frames: 0</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Estimated number of bonds = 0</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">sInfo(dim) = 3; periodic(dim) = 3</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/gengeom 0 1 11 1 1 1 1 xc_gengeom.2436 /tmp/xc_2436/pwi2xsf.xsf_out.raw</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/gengeom 2 1 11 9 1 1 1 /tmp/xc_2436/xc_struc.2436 /tmp/xc_2436/pwi2xsf.xsf_out.raw</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">reading PRIMCOORD</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">reading CONVCOORD</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"/tmp/xc_2436/xc_struc.2436"</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Error in startup script: can't read "sInfo(ldatagrid2D)": no such variable</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> while executing</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"if { $sInfo(ldatagrid2D) || $sInfo(ldatagrid3D) } {</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> $m.menu entryconfig "Data Grid" -state normal</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> } else {</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> $m.menu entryconfig "Data Grid" -stat..."</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> (procedure "Get_sInfoArray" line 13)</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"Get_sInfoArray"</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> (procedure "xsfOpen" line 92)</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"xsfOpen $program_output .mesa"</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> (procedure "openExtStruct" line 183)</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"openExtStruct 3 crystal external [list sh $system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf.xsf_out {PWSCF Input File} ANGS -file $filedir -preset pwIn..."</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"if [file exists $filedir] {</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> # pop-up Viewer</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> ViewMol .</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> openExtStruct 3 crystal external [list sh $system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf..."</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> (procedure "parseComLinArg" line 89)</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"parseComLinArg [lrange $argv 2 end]"</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> invoked from within</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">"if { [llength $argv] > 2 } {</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> parseComLinArg [lrange $argv 2 end]</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">} else {</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> ViewMol .</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">}"</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"> (file "/home/vallin59/scratch/.xcrysden-1.5.60/Tcl/xcInit.tcl" line 609)</div><div><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Thank you </div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">----</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">Muthu Vallinayagam</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">PhD Student</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)">HZDR, Germany</div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:tahoma,sans-serif;font-size:x-small;color:rgb(0,0,0)"><br></div><br><br><br><div class="mt-signature">
<a href="https://mailtrack.io/" class="mt-signature-logo" style="text-decoration:none"><img src="https://s3-eu-west-1.amazonaws.com/mailtrack-crx/icon-signature.png" height="14"></a>
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