<html><body>Just out of curiosity... have you done also some tests with ifort/openblas or gfortran/mkl combination? I have done few tests about two years ago with gfortran, ifort, openblas, mkl and also different optimisation flags including some advanced ones such as link time optimizations and I have come to the conclusion that the only thing that really matters are the libraries... eg. the only think you actually need to get the best performance is mkl and the compiler choice is irrelevant.<br><br>Best regards<br>Pavel<br><br><blockquote>To clarify: in my test gfortran ran 1.3 slower than ifort. / Regards
<br>
<br>John Rundgren
<br>
<br>________________________________________
<br>From: Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pblaha@theochem.tuwien.ac.at>
<br>Sent: Tuesday, December 6, 2016 12:20 PM
<br>To: A Mailing list for WIEN2k users
<br>Subject: Re: [Wien] WIEN2k and gfortran
<br>
<br>Thank you very much for the information. I have not used gfortran for
<br>long time.
<br>
<br>Just on question: I did not fully understand the last sentence:
<br>
<br> > In a test taking 2.5 h/iteration gfortran/ifort time was 1.3. A current
<br> > test got interesting when one of my disks containing ifort crashed.
<br>
<br>Does it say with gfortran/OpenBlas it takes 2.5h, with ifort/mkl 1.3h ?
<br>
<br>Or does it mean that the ratio of the two timings is 1.3,
<br>i,.e. gfortran runs 1.3 times slower than ifort ?
<br>
<br>Regards
<br>
<br>On 12/05/2016 11:54 AM, John Rundgren wrote:
<br>> Dear WIEN2k team,
<br>>
<br>> siteconfig and User's Guide can be updated concerning gfortran and BLAS:
<br>>
<br>> L Linker Flags: $(FOPT) -I /opt/OpenBLAS/include
<br>> -L/opt/OpenBLAS/lib
<br>> R R_LIB (LAPACK+BLAS): -lopenblas -lpthread -lgfortran
<br>>
<br>> OpenBLAS being available from the sites
<br>>
<br>> www.openblas.net and
<br>> https://github.com/xianyi/OpenBLAS/wiki/Installation-Guide
<br>>
<br>> In a test taking 2.5 h/iteration gfortran/ifort time was 1.3. A current
<br>> test got interesting when one of my disks containing ifort crashed.
<br>>
<br>> Regards,
<br>> John Rundgren
<br>>
<br>>
<br>>
<br>>
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<br>>
<br>
<br>--
<br>
<br> P.Blaha
<br>--------------------------------------------------------------------------
<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
<br>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
<br>Email: blaha@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
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<br></blockquote></body></html>