[cctbxbb] Install OpenBLAS or MKL in base

Nigel Moriarty nwmoriarty at lbl.gov
Wed Jun 20 09:47:20 PDT 2018


I like the idea. I may be able to convince a new collaborator to drop
FORTRAN in favour of the cctbx.



Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Wed, Jun 20, 2018 at 5:13 AM, Luc Bourhis <luc_j_bourhis at mac.com> wrote:

> Hi,
> years ago, I had wrote on this discussion list about a project of mine to
> dramatically accelerate scitbx.lstbx by using optimised BLAS libraries.
> That work had been dormant on a branch but now we are planning to move
> forward with the help of Pascal Parlois who will do the actual coding in
> the coming months. In order for this new code to be exercised by nightly
> tests, we, the smtbx people, need to write code so that that optimised BLAS
> library is installed during bootstrap. Right now, as a stopgap, I used
> conda to install either OpenBLAS and MKL but that won’t do with the cctbx
> philosophy.
> There are basically two choices: either OpenBLAS or MKL. When I started
> this project, I chose OpenBLAS because MKL was not freely redistributable,
> and I had got the green light to install it as needed. However now MKL has
> become completely free, thus becoming a possible choice. MKL is more
> performant on Intel but OpenBLAS is better on AMD (OpenBLAS actually runs
> on pretty much any processor out there but we don’t care in the context of
> cctbx): c.f. Julia people conclusions
> <https://discourse.julialang.org/t/openblas-is-faster-than-intel-mkl-on-amd-hardware-ryzen/8033>
> Now I realise that most of you may not care one way or another!?! But we
> won’t move forward before we got the green light…
> Note that I am taking about installing a BLAS usable from C++ here, not
> getting a BLAS-accelerated numpy. The latter could be an alternative
> though. But that would require to modify the bootstrap code to compile a
> MKL- or OpenBLAS-enabled numpy anyway.
> Best wishes,
> Luc J Bourhis
> _______________________________________________
> cctbxbb mailing list
> cctbxbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/cctbxbb
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/cctbxbb/attachments/20180620/3a1aa2dd/attachment.htm>

More information about the cctbxbb mailing list