Great, thank you I will try this. I haven't seen this as I'm new to the mailing list. I actually eliminated the the segmentation fault by linking to libmkl_mc.so explicitly, this however has caused an error in SECLR4. Don't think I'm further along, but at least the error is different.
---------------------------------------------------------------------------- Aaron Sutton Ph.D. Candidate | University of Toronto Office: McLennan MP090 | Phone: +1 416 946 3639 Email: asutton at physics.utoronto.ca On Thu, Nov 10, 2011 at 15:48, Gavin Abo <gsabo at crimson.ua.edu> wrote: > Hi Aaron, > > If you have been following some of the recent mailing list posts, I think > this error is because of the intel compiler. ?I had the same or similar > error with update 6. ?I never tried update 7, but it sounds like the > compiler does not seem to be compiling the Wien2k code correctly like update > 6. ?Try update 3 of Intel FORTRAN compiler & MKL > library, which should be composerxe-2011.3.174. > > Gavin > > On 11/10/2011 2:31 PM, Aaron Sutton wrote: >> >> Hi, >> I am experiencing a segmentation fault when running WIEN2k compiled >> using the most recent version of the Intel FORTRAN compiler& ?MKL >> library (composer_xe_2011_sp1.7.256). The computer it's being run on >> is a 2009 Mac Pro with 2 quad core intel xeon 5500 series processors >> at 2.93GHz and 8GB RAM. The computer is natively running Ubuntu Linux >> 11.10 (though the same issue occurred while running 11.04). WIEN2k is >> compiled using the default flags and links provided by the Linux with >> Intel FORTRAN v12.0 + MKL option of siteconfig_lapw, no modifications. >> The software compiles without error. Upon running the software, either >> through the web interface or using run_lapw in the case directory, >> lapw0 completes successfully and then I receive: >> >> LAPW0 END >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> IMAGE ? ? ? ? ? ? ? ? ? ? ? ? ? PC >> ? ?ROUTINE ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?LINE >> ? ? ?SOURCE >> >> libmkl_mc3.so ? ? ? ? ? ? ? ? 00002B0321624A30 ? ? ? ? ? ? ? Unknown >> ? ? ? ? ? ? ? ? ? ? ? ? ? ? Unknown ? ? ? ? ? ? ? ? ? ? ? ? ?Unknown >> >>> stop error >> >> According to the intel compiler documentation, the libmkl_mc3 library >> is a kernel library specifically for core i7 type processors, which >> the Xeon 5500s are. I do not link specifically to libmkl_mc3.so >> anywhere as I am using the default options. I can report that this >> error does not occur on i3 or i5 processors. Any thoughts on how to >> remedy this situation? >> >> Thank you. >> >> ---------------------------------------------------------------------------- >> Aaron Sutton >> Ph.D. Candidate | University of Toronto >> Office: McLennan MP090 | Phone: +1 416 946 3639 >> Email: asutton at physics.utoronto.ca >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >