[Wien] MKL 10 linking

[Laurence Marks]

If you have a segmentation fault in lapw2, please use -traceback which
will show where it is. lapw1c should work independent of lapw2.

On Dec 13, 2007 8:10 AM, Nils Huntemann <Nils.Huntemann at gmx.de> wrote:
> Hello,
>
> > A minor suggestion: can you please use the standard test from the
> > WIen2k page for any timings you quote so everyone can compare them.
>
> But this test is just for lapw1c, or not? I also have segmentation fault in lapw2.
> Best regards,
> Nils
>
>
> > On Dec 13, 2007 2:36 AM, Andrey Sobolev <inconnu at list.ru> wrote:
> > > Hello Andrzej,
> > >
> > > Sorry for delayed answer as I've been away from the mailing list a
> > while. I've run some benchmarks on my computer (Intel Core2Duo T6400 @ 2.13 GHz,
> > 1 GB RAM with Fedora 7) using my default and your pure layered compiler
> > options. All programs compiled, linked and executed successfully with -O3
> > -xT, including lapw2, so your problem should lie in some system (or 3rd party)
> > libraries.
> > >
> > > The results of the benchmark (fccni as shown in the UG) are 24 secs with
> > my default model vs. 21 secs with your pure layered model. What bothers me
> > most is the difference in results - it needs 4 cycles to converge with my
> > parameters and 3 cycles w/yours. I'd like to ask whether you observed such
> > a behaviour in your benchmarks. Now I'll try other systems to see if the
> > results obtained are significantly different.
> > >
> > > Cheers,
> > > Andrey.
> > >
> > >
> > >
> > >
> > > -----Original Message-----
> > > From: awronka at uni.lodz.pl
> > > To: wien at zeus.theochem.tuwien.ac.at
> > > Date: Fri, 7 Dec 2007 17:04:08 +0100 (CET)
> > > Subject: Re: [Wien] MKL 10 linking
> > >
> > > >
> > > >      Hello Andrey,
> > > >
> > > >       I have performed a few quick benchmark runs to fccni example
> > from
> > > > user manual ("runsp_lapw   ce 0.0001  NI" for 3000 k points) for
> > > > your default and my pure layered mkl10 linking models,  on my small
> > > > home computers,  and stated as follows:
> > > >
> > > > 1.  I can  compile all programs on "-O3  -xX" optimization level,
> > except
> > > > of lapw2 program, where  only "-O1  xX"  passed, in both cases of
> > > > compilation,  and system parameter OMP_NUM_THREADS=2 passed on  pure
> > > > layered linking only.
> > > >
> > > > 2.  Times of execution I obtained , were a little shorter for my pure
> > > > layered linking model. Exactly,  it was 51 sec. for my and 1 min. 4
> > sec.
> > > > for your  linking settings,  on my 3.2 GHz Intel  Pentum  4, 1GB RAM
> > (667
> > > > HHz) stationary computer  with  Centos 5 operating system (1 min/1
> > min. 10
> > > > sec. on my Dell laptop   T5600 Core 2 Duo, 1.83 GHz with slow 5600 rpm
> > > > hard disk and 2 GB RAM(667 MHz),  Suse 10.3).
> > > >
> > > > I do not know, why that "-O3" optimization crash for lapw2 on my
> > systems.
> > > > What about your benchmark results?
> > > >
> > > > Greetings,
> > > >  Andrzej
> > > >
> > > >
> > > >
> > > > _______________________________________________
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> > > >
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> > >
> >
> >
> >
> > --
> > Laurence Marks
> > Department of Materials Science and Engineering
> > MSE Rm 2036 Cook Hall
> > 2220 N Campus Drive
> > Northwestern University
> > Evanston, IL 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > Web: www.numis.northwestern.edu
> > Commission on Electron Diffraction of IUCR
> > www.numis.northwestern.edu/IUCR_CED
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>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED