Hi Laurence,<br><br>Thanks for getting back to me.<br><div class="gmail_quote">On Mon, Jan 30, 2012 at 6:46 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Several questions as a start:<br>
a) Have you tried lapw0_mpi ? This does not use any scalapack, just<br>
mpi operation splitting. I would verify that this works first.<br></blockquote><div>Yes, lapw0_mpi does work. I can continue from it with a serial version of lapw1. <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
b) What version of mpi -- there are many. You need to ensure that you<br>
have the right commands in $WIENROOT/parallel_options for your flavor<br>
of mpi.<br></blockquote><div>The MPI is Cray MPT. Can you tell me where those eigenvalues are printed/stored in the source code for the parallel lapw1_mpi?<br><br>Thanks,<br>David. <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<br>
2012/1/30 David Tompsett <<a href="mailto:dat36@cam.ac.uk">dat36@cam.ac.uk</a>>:<br>
<div><div class="h5">> Dear All,<br>
><br>
> I have recently attempted to recompile Wien2k version 11 and am having some<br>
> problems with the MPI parallel binary lapw1_mpi. I used a GNU reference<br>
> implementation of Scalapack and libsci. Unfortunately my cluster does not<br>
> have inter libraries.<br>
><br>
> The compile completes with no errors, but upon running lapw1_mpi does not<br>
> print any eigenvalues, yet throws no errors:<br>
> EIGENVALUES ARE:<br>
><br>
> 0 EIGENVALUES BELOW THE ENERGY -10.00000<br>
> ********************************************************<br>
><br>
> There is simply nothing printed in case.output1up or case.energyup where the<br>
> eigenvalues should be. Has anyone seen such a problem before? Also, which<br>
> part of the source code should print these eigenvalues? I would like to<br>
> check if the problem is with IO by trying to flush the stream.<br>
><br>
> Many thanks,<br>
> David Tompsett.<br>
><br>
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<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
--<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <a href="tel:1-847-491-3996" value="+18474913996">1-847-491-3996</a><br>
"Research is to see what everybody else has seen, and to think what<br>
nobody else has thought"<br>
Albert Szent-Gyorgi<br>
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