Bug 1602822 - gromacs: use openblas instead of atlas
Summary: gromacs: use openblas instead of atlas
Keywords:
Status: CLOSED CURRENTRELEASE
Alias: None
Product: Fedora
Classification: Fedora
Component: gromacs
Version: rawhide
Hardware: Unspecified
OS: Unspecified
unspecified
unspecified
Target Milestone: ---
Assignee: Christoph Junghans
QA Contact: Fedora Extras Quality Assurance
URL:
Whiteboard:
Depends On:
Blocks: 1506952
TreeView+ depends on / blocked
 
Reported: 2018-07-18 15:02 UTC by Dominik 'Rathann' Mierzejewski
Modified: 2018-07-20 21:07 UTC (History)
3 users (show)

Fixed In Version:
Clone Of:
Environment:
Last Closed: 2018-07-20 21:07:50 UTC
Type: Bug
Embargoed:

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Description Dominik 'Rathann' Mierzejewski 2018-07-18 15:02:38 UTC 
Description of problem:
Please BuildRequire: openblas instead of atlas.

Version-Release number of selected component (if applicable):
gromacs-2018.1-1.fc29

Additional information:
A lot of benchmarks around the net suggest openblas is faster than ATLAS in most workloads:
https://github.com/tmolteno/necpp/issues/18
http://blog.nguyenvq.com/blog/2014/11/10/optimized-r-and-python-standard-blas-vs-atlas-vs-openblas-vs-mkl/
https://freddie.witherden.org/pages/blas-gemm-bench/
http://nghiaho.com/?p=1726

Many Fedora packages have switched to openblas already (e.g. scalapack and all dependent ones and numpy).
Comment 1 Christoph Junghans 2018-07-18 15:17:05 UTC 
Sure, I can role that into the 2018.2 bump!
Comment 2 Christoph Junghans 2018-07-20 21:07:50 UTC 
Fixed in 2018.2 bump (bug #1591052)
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