[Wien] WIEN2k on Xeon 5500 Series

Thu Nov 24 01:19:57 CET 2011

Hi,
I also tried the -heap-arrays suggestion from intel to no avail. I
believe the two packages you've mentioned, including revision 3 of the
2011 intel fortran compiler, should be all you need. As for the C
compiler, I'm using gcc 4.6.1, which I believe is the standard version
on Ubuntu 11.10.
----------------------------------------------------------------------------
Aaron Sutton
Ph.D. Candidate | University of Toronto
Office: McLennan MP090 | Phone: +1 416 946 3639
Email: asutton at physics.utoronto.ca


2011/11/23 Paul Fons <paul-fons at aist.go.jp>:
> 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
> (http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/)
> but it did not help either.
> 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?
>
> 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.
> From what I understand, update 3 is the
>  I am downloading currently:
> Fortran
> l_fcompxe_2011.3.174.tgz
> ]MKL
> l_mkl_10.3.3.174.tgz
>
>
> On Nov 11, 2011, at 6:04 AM, Aaron Sutton wrote:
>
> 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
>
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> Dr. Paul Fons
> Functional Nano-phase-change Research Team
> Team Leader
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