Re: [ccp4bb] buying a cluster

2018-12-02 Thread graeme.win...@diamond.ac.uk
Re: publishing benchmarks - great idea - expand on what James described earlier. Most programs are GHz dependent (for most “sensible” definitions of GHz (not the mega-hyper-pipeline stall prone P4 say) however I see your point that “threaded” and “optimised for vector systems (e.g. AVX512)”

Re: [ccp4bb] buying a cluster

2018-12-02 Thread Markus Heckmann
Hi Graeme, I suspect that this conclusions depends very closely on (i) the shape of > the problem and (ii) the extent to which the binary has been optimised for > the given platform. > > I do hope some of these info are analyzed and either published or at least put at ccp4 wiki. I am pretty sure

Re: [ccp4bb] Long term storage for raw images/ crystallographic data sets

2018-12-02 Thread Markus Heckmann
Hi Raquel, Are u using a compressed filesystem? I recently moved everything including /home directory to ZFS - which gave ~ 1.4X compression for old adsc images. Remember vaguely, years before, James suggested to use aufs/unionfs. You could even enable data-deduplication to save redundant

Re: [ccp4bb] photograph of Enraf-Nonius FAST detector

2018-12-02 Thread benjamin bax
Hi Harry, I think some old stuff from Birkbeck crystallography teaching labs. went to science museum. However, picture of Enraf-Nonius Weissenberg X-ray camera, model Y809, (X-ray diffraction camera) - from 1968 - does not look quite like what I remember.

[ccp4bb] Science Mag - breakthrough 2018

2018-12-02 Thread Tim Gruene
Dear all, crystallography provides on of the candidates for the 'breakthrough of the year 2018' at Science Magazin ("Rapid chemical structures"). You can make your pick at http://www.sciencemag.org/news/2018/11/choose-your-2018-breakthrough-year Best, Tim -- -- Paul Scherrer Institut Tim