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<p><span style="font-size: 14pt;">Dear Professor <span style="color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, 'Segoe UI', 'Segoe WP', Tahoma, Arial, sans-serif;">Marks:</span></span></p>
<p><span style="color: rgb(33, 33, 33); font-family: wf_segoe-ui_normal, 'Segoe UI', 'Segoe WP', Tahoma, Arial, sans-serif; font-size: 15px;"><br>
</span></p>
<p><span style="color: rgb(33, 33, 33); font-family: Corbel, sans-serif; font-size: 14pt;"><span style="font-family: Corbel, sans-serif;">I've check everything you have mentioned, they are all fine, nevertheless it still don't work. I think the input files
are ok since I have no problem running in non-parallel mode. </span></span></p>
<p><span style="color: rgb(33, 33, 33); font-family: Corbel, sans-serif; font-size: 14pt;"><span style="font-family: Corbel, sans-serif;">I tried to make the supercell smaller (2x1x1), then it works. However, I don't know why that happens. </span></span></p>
<p><span style="font-size: 14pt;">By the way, I have "ulimit -s unlimited " in my .bashrc file. I'v also </span><span style="font-size: 14pt;">a</span><span style="font-size: 14pt;">djusted the RKMAX and RMT before. </span></p>
<p><span style="font-size: 14pt;"><br>
</span></p>
<p><span style="font-size: 14pt;">Sincerely</span></p>
<p><span style="font-size: 14pt;">Wangwei Lan</span></p>
<p><span style="font-size: 14pt;"><br>
</span></p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> wien-bounces@zeus.theochem.tuwien.ac.at <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <L-marks@northwestern.edu><br>
<b>Sent:</b> Tuesday, July 28, 2015 13:09<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Segmentation fault in Supercell Calculation</font>
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<div dir="ltr">You have what is called a "Segmentation Violation" which was detected by 4 of the nodes and they called an error handler which stopped the mpi job on all the CPU's.
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<div>This is normally because you have an error of some sort in your input files, any of case.in0, case.clmsum (and clmup/dn if you are using spin polarized).</div>
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<div>1) Check that you do not have overlapping spheres and/or other mistakes.</div>
<div>2) Check your error files, e.g. "cat *.error". Are any others (e.g. dstart.error) not empty? Did you ignore an error during setup?</div>
<div>3) Check the lapw0 output in case.output0* -- maybe shows what is wrong.</div>
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<div>There are many possible sources, you have to find the specific one.</div>
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<div class="gmail_extra"><br>
<div class="gmail_quote">On Tue, Jul 28, 2015 at 12:57 PM, Lan, Wangwei <span dir="ltr">
<<a href="mailto:wl13c@my.fsu.edu" target="_blank">wl13c@my.fsu.edu</a>></span> wrote:<br>
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<p>Dear WIEN2k user:</p>
<p><br>
</p>
<p>I am using wien2k_14.2 on CentOS release 5.8. ifort version 12.1.3 with MKL. </p>
<p><br>
</p>
<p><br>
</p>
<p>After generating a 2x2x1 supercell with 30 atoms, I tried to do the scf calculation. However, I got some errors. I'v attached it at the end of this email. My wien2k was installed correctly. It works well for other calculations. It also worked if I run non-parallel
calculation for supercell. I'v searched the mail-list, but can't find any solutions. Could you give me a hint on how to solve the problem? Thank you very much.</p>
<p><br>
</p>
<p><br>
</p>
<p>Sincerely </p>
<p>Wangwei Lan</p>
<p><br>
</p>
<p><span style="font-size:12pt"><br>
</span></p>
<p><span style="font-size:12pt">On lapw0.error shows:</span><br>
</p>
<p> </p>
<p><span style="font-size:12pt">'Unknown' - SIGSEGV</span><br>
</p>
<p><br>
</p>
<p><br>
</p>
<p>On super.dayfile shows:</p>
<p><br>
</p>
<p>Child id 0 SIGSEGV</p>
<p> Child id 8 SIGSEGV</p>
<p> Child id 18 SIGSEGV</p>
<p> Child id 23 SIGSEGV</p>
<p> Child id 17 SIGSEGV</p>
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<p><br>
</p>
<p>On Screen shows:</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>w2k_dispatch_signal(): received: Segmentation fault</p>
<p>--------------------------------------------------------------------------</p>
<p>MPI_ABORT was invoked on rank 18 in communicator MPI_COMM_WORLD </p>
<p>with errorcode 451782144.</p>
<p><br>
</p>
<p>NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</p>
<p>You may or may not see output from other processes, depending on</p>
<p>exactly when Open MPI kills them.</p>
<p>--------------------------------------------------------------------------</p>
<p>--------------------------------------------------------------------------</p>
<p>mpirun has exited due to process rank 18 with PID 26388 on</p>
<p>node <a href="http://corfu.magnet.fsu.edu" target="_blank">corfu.magnet.fsu.edu</a> exiting without calling "finalize". This may</p>
<p>have caused other processes in the application to be</p>
<p>terminated by signals sent by mpirun (as reported here).</p>
<p>--------------------------------------------------------------------------</p>
<p>[<a href="http://corfu.magnet.fsu.edu:26369" target="_blank">corfu.magnet.fsu.edu:26369</a>] 23 more processes have sent help message help-mpi-api.txt / mpi-abort</p>
<p>[<a href="http://corfu.magnet.fsu.edu:26369" target="_blank">corfu.magnet.fsu.edu:26369</a>] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages</p>
<p><br>
</p>
<p>> stop error</p>
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-- <br>
<div class="gmail_signature">
<div dir="ltr">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>
<div>Corrosion in 4D: <a href="http://MURI4D.numis.northwestern.edu" target="_blank">
MURI4D.numis.northwestern.edu</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</div>
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