[Wien] MKL 10 linking

Thu Dec 6 12:30:06 CET 2007

Hello Andrey,
very interesting example of default layered mkl 10 linking.
Thanks for your feedback. I will try it on my systems (CentOS 5, Suse 10.3)
and compare to my benchmark results.

Andrzej

----- Original Message ----- 
From: "Andrey Sobolev" <inconnu at list.ru>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, December 06, 2007 9:37 AM
Subject: Re: [Wien] MKL 10 linking

> Hello, Andrzej.
>
> I have successfully compiled and linked Wien2k against mkl10 with ifort 
> compiler with options listed below:
> FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xT
> LDFLAGS:$(FOPT) -L/opt/intel/mkl/10.0.011/lib/em64t -lpthread -static
> DPARALLEL:'-DParallel'
> R_LIBS:-lmkl_lapack -lmkl_em64t -lguide -lmkl_intel_thread -pthread
>
> Every program works good, including lapw2. However, I had to set 
> OMP_NUM_THREADS to 1, as leaving this variable equal to the number of 
> processors led to some unexpected segmentation fault in OpenMP libraries 
> during lapw1. Dynamic linking also works, but one has to be careful about 
> the versions of the libraries and the order in ld.conf. I've got a weird 
> seg fault which was due to 32bit libraries that came first in ld.conf. 
> We've been using it for a while already and the timing is wonderful - 
> we've got a 2x increase in calculation speed in comparison to compiling 
> with gfortran.
>
> Cheers.
> Andrey.
>
> -----Original Message-----
> From: awronka at uni.lodz.pl
> To: Wien at zeus.theochem.tuwien.ac.at
> Date: Mon, 3 Dec 2007 23:45:12 +0100 (CET)
> Subject: [Wien] MKL 10 linking
>
>>
>>                 Dear mkl 10 Users,
>>
>> I've run more tests with with mkl 10 dynamic linking and recognized that
>> can realize more aggressive optimization ( "-O3 -xX" where X=T is for my
>> Core 2 Duo proc and X=P for Pentium IV) for all WIEN2k progs besides
>> lapw2, where "-O1 -xX" only. For more offensive optimization lapw2 
>> crashed
>> with segmentation error.
>>
>> What about  new propositions for dynamic and static MKL 10 linking?
>>
>> Greetengs,
>>
>> Andrzej
>>
>> >Dear Gerhard, please check these options - it seems to work (Centos 5, 
>> >Suse
>> >10.3) with mkl 10 (ifort fce 10):
>>
>> O: -FR -mp1 -w -prec_div -pad -ip -DINTEL_VML -O0 -traceback
>> L: $(FOPT) -L/your_mkl_10_em64t_library_path -lpthread
>> R: -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
>>
>> Regards
>>
>> Andrzej
>>
>>
>> >Thanks for the remark,
>> >I recognized that they use different linking models in particular for
>> >threading.
>> >This is different from older Verions.
>> >Seems I have to play around a little to find a solution.
>>
>> >Ciao
>> >Gerhard
>>
>> -----Ursprüngliche Nachricht-----
>> Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von
>> awronka at uni.lodz.pl
>> Gesendet: Sa 01.12.2007 14:56
>> An: Wien at zeus.theochem.tuwien.ac.at
>> Betreff: Re: [Wien] lapw1.def fail --  invalid pointer
>>
>> They started a new layered model concept in mkl 10:
>> http://softwarecommunity.intel.com/isn/downloads/softwareproducts/pdfs/347460.pdf
>> to support a richer set of circumstances, compilers and threading in
>> particular.
>> They introduced the "dummy libraries" to provide backward compatibility
>> (mkl 9), and changed also a general form of of specifying paths and
>> libraries in the link line in comparison with mkl 9:
>>
>> -L<MKL path> -I<MKL include>
>>
>> [-lmkl_lapack95] [-lmkl_blas95]
>>
>> [cluster components]
>>
>> [-Wl,--start-group]
>>
>> [{-lmkl_{intel, intel_ilp64, intel_lp64, intel_sp2dp, gf, gf_ilp64, 
>> gf_lp64}]
>>
>> [-lmkl_{intel_thread, sequential}]
>>
>> [{-lmkl_solver, -lmkl_solver_lp64, -lmkl_solver_ilp64}]
>>
>> {{[-lmkl_lapack] -lmkl_{ia32, em64t, ipf}},
>>
>> -lmkl_core}}
>>
>> [-Wl,--end-group]
>>
>> [{-lguide, -liomp5}] [-lpthread] [-lm]
>>
>> I have tried previous (ifort fce 10, mkl 9) compilation options for mkl 
>> 10
>> (CentOS5 and Suse 10.3), but it does't work for me and have the same 
>> glibc
>> detected error.
>>
>> Regards,
>>
>> Andrzej
>>
>>
>>
>> >I had several times the error lapw1.def failt or uplapw1.def failt
>> >
>> > A closer look revealed:
>> > *** glibc detected *** /home/fecher/Fortran_Work/Wien2k/lapw1c: free():
>> invalid pointer: 0x00002aaac4605010 ***
>> >
>> > Has anyone an idea where this error comes from ?
>> > It seems also to occur with the test.case, but not in every run.
>> > Is a hardware failure a possible cause ?
>> >
>> > System:
>> > 2  Xeon 5160, 8GB RAM
>> > Wien2k 07.3,
>> > Red Hat 4.1.2-27, Linux version 2.6.23.1-10.fc7 #1 SMP,
>> > ifort fce 10.1.008
>> > mkl 10.0.011
>> >
>> > Ciao
>> > Gerhard
>> > _______________________________________________
>> > Wien mailing list
>> > Wien at zeus.theochem.tuwien.ac.at
>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
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>>
>>
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