Dear Prof. Blaha and other users, <br><br>I am trying to run x optic -p with the new file you provided. I am getting following error <br><br>Commandline: x optic -p<br>Program input is: ""<br><br>^M: Command not found.<br>
foreach: Words not parenthesized.<br>0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>error: command /home/shaldar/codes/wien2k/opticpara optic.def failed<br><br><br>Particularly this error comes during the parallel execution of the code. Serial version does not produce this error. <br>
<br><div class="gmail_quote">On Wed, Jun 6, 2012 at 8:56 AM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Here is the modified opticpara_lapw<br>
<br>
<br>
Am 05.06.2012 19:36, schrieb soumyajyoti haldar:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Prof. Blaha,<br>
<br>
How we can get the modified file? Will you update the file after modification in the download section of the site ?<div class="im"><br>
<br>
On Tue, Jun 5, 2012 at 3:56 PM, Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a> <mailto:<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.<u></u>tuwien.ac.at</a>>> wrote:<br>
<br>
You are absolutely right. $SCRATCH is not used consistently in x_lapw and opticpara<br>
<br>
I'll add ${scratch} in front of all $case.symmat_$i$updn lines (and similar for other files)<br>
in opticpara_lapw.<br>
</div></blockquote>
<br><div class="HOEnZb"><div class="h5">
-- <br>
<br>
P.Blaha<br>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: <a href="tel:%2B43-1-58801-165300" value="+43158801165300" target="_blank">+43-1-58801-165300</a> FAX: <a href="tel:%2B43-1-58801-165982" value="+43158801165982" target="_blank">+43-1-58801-165982</a><br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/<u></u>theochem/</a><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Soumyajyoti Haldar, PhD Student<br>
<br>Department of Physics and Astronomy, Materials Theory<br>
Ångström Laboratory, Office Å13235 | Uppsala University<br>
Box 516, SE-75120, Uppsala, SWEDEN<br>
<br>
Phone: (+46) 18 471 5860<br>
Mobile: (+46) 070 0399 394<br><a href="http://www.physics.uu.se/en/page/soumyajyoti-haldar" target="_blank">http://www.physics.uu.se/en/page/soumyajyoti-haldar</a><br>