[Wien] WIEN2k and gfortran

[John Rundgren]

To clarify: in my test gfortran ran 1.3 slower than ifort. / Regards

John Rundgren

________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pblaha at theochem.tuwien.ac.at>
Sent: Tuesday, December 6, 2016 12:20 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] WIEN2k and gfortran

Thank you very much for the information. I have not used gfortran for
long time.

Just on question: I did not fully understand the last sentence:

 > In a test taking 2.5 h/iteration gfortran/ifort time was 1.3. A current
 > test got interesting when one of my disks containing ifort crashed.

Does it say with gfortran/OpenBlas it takes  2.5h, with ifort/mkl 1.3h ?

Or does it mean that the ratio of the two timings is  1.3,
i,.e. gfortran runs 1.3 times slower than ifort ?

Regards

On 12/05/2016 11:54 AM, John Rundgren wrote:
> Dear WIEN2k team,
>
> siteconfig and User's Guide can be updated concerning gfortran and BLAS:
>
>  L Linker Flags:         $(FOPT) -I /opt/OpenBLAS/include
> -L/opt/OpenBLAS/lib
>  R R_LIB (LAPACK+BLAS):  -lopenblas -lpthread -lgfortran
>
> OpenBLAS being available from the sites
>
> www.openblas.net and
> https://github.com/xianyi/OpenBLAS/wiki/Installation-Guide
>
> In a test taking 2.5 h/iteration gfortran/ifort time was 1.3. A current
> test got interesting when one of my disks containing ifort crashed.
>
> Regards,
> John Rundgren
>
>
>
>
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--

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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