<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I am trying to compile Wien2K as well with the latest intel compilers. At first I thought it might be a stack overflow problem (of course limit stacksize was set to unlimited) and I tried the suggestion -heap-arrays from intel (<a href="http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/">http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/</a>) but it did not help either. <div><br></div><div>Has any progress been made in tracking down the source of this error? The traceback is essentially worthless. Has anyone corresponded with intel with regards to the problem?</div><div><br></div><div><br></div><div>I am now in the process of downloading an older version of the compiler. I am a little worried about downloading having different versions of the compiler as there is also C code in Wien2K. Exactly which versions of the C, Fortran, and MKL libraries should be used. I have a copy of a Intel Parallel Studio XE for Linux and don't typically download the individual packages hence my confusion. </div><div><br></div><div>From what I understand, update 3 is the </div><div><br></div><div> I am downloading currently:</div><div><br></div><div>Fortran</div><div>l_fcompxe_2011.3.174.tgz</div><div><br></div><div>]MKL </div><div>l_mkl_10.3.3.174.tgz</div><div><br></div><div><br></div><div><br><div><div>On Nov 11, 2011, at 6:04 AM, Aaron Sutton wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Great, thank you I will try this. I haven't seen this as I'm new to<br>the mailing list. I actually eliminated the the segmentation fault by<br>linking to libmkl_mc.so explicitly, this however has caused an error<br>in SECLR4. Don't think I'm further along, but at least the error is<br>different.<br><br>----------------------------------------------------------------------------<br>Aaron Sutton<br>Ph.D. Candidate | University of Toronto<br>Office: McLennan MP090 | Phone: +1 416 946 3639<br>Email: <a href="mailto:asutton@physics.utoronto.ca">asutton@physics.utoronto.ca</a><br><br><br><br>On Thu, Nov 10, 2011 at 15:48, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br><blockquote type="cite">Hi Aaron,<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">If you have been following some of the recent mailing list posts, I think<br></blockquote><blockquote type="cite">this error is because of the intel compiler. I had the same or similar<br></blockquote><blockquote type="cite">error with update 6. I never tried update 7, but it sounds like the<br></blockquote><blockquote type="cite">compiler does not seem to be compiling the Wien2k code correctly like update<br></blockquote><blockquote type="cite">6. Try update 3 of Intel FORTRAN compiler & MKL<br></blockquote><blockquote type="cite">library, which should be composerxe-2011.3.174.<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Gavin<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">On 11/10/2011 2:31 PM, Aaron Sutton wrote:<br></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Hi,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">I am experiencing a segmentation fault when running WIEN2k compiled<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">using the most recent version of the Intel FORTRAN compiler& MKL<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">library (composer_xe_2011_sp1.7.256). The computer it's being run on<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">is a 2009 Mac Pro with 2 quad core intel xeon 5500 series processors<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">at 2.93GHz and 8GB RAM. The computer is natively running Ubuntu Linux<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">11.10 (though the same issue occurred while running 11.04). WIEN2k is<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">compiled using the default flags and links provided by the Linux with<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Intel FORTRAN v12.0 + MKL option of siteconfig_lapw, no modifications.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">The software compiles without error. Upon running the software, either<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">through the web interface or using run_lapw in the case directory,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">lapw0 completes successfully and then I receive:<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">LAPW0 END<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">forrtl: severe (174): SIGSEGV, segmentation fault occurred<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">IMAGE PC<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"> ROUTINE LINE<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"> SOURCE<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">libmkl_mc3.so 00002B0321624A30 Unknown<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"> Unknown Unknown<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><blockquote type="cite">stop error<br></blockquote></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">According to the intel compiler documentation, the libmkl_mc3 library<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">is a kernel library specifically for core i7 type processors, which<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">the Xeon 5500s are. I do not link specifically to libmkl_mc3.so<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">anywhere as I am using the default options. I can report that this<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">error does not occur on i3 or i5 processors. Any thoughts on how to<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">remedy this situation?<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Thank you.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">----------------------------------------------------------------------------<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Aaron Sutton<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Ph.D. Candidate | University of Toronto<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Office: McLennan MP090 | Phone: +1 416 946 3639<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Email: <a href="mailto:asutton@physics.utoronto.ca">asutton@physics.utoronto.ca</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">_______________________________________________<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Wien mailing list<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">_______________________________________________<br></blockquote><blockquote type="cite">Wien mailing list<br></blockquote><blockquote type="cite"><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br></blockquote><blockquote type="cite"><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote><blockquote type="cite"><br></blockquote>_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br></div></blockquote></div><br><div apple-content-edited="true">
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