[Wien] WIEN2k on Xeon 5500 Series

[Aaron Sutton]

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
>>
>
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