[cctbxbb] rstbx test is failing without indication in test_all_parallel

Nicholas Sauter nksauter at lbl.gov
Fri Sep 22 09:05:40 PDT 2017


Billy Poon has said that he will look into the matter next week.

Nick

Nicholas K. Sauter, Ph. D.
Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 33R0345
Berkeley, CA 94720
(510) 486-5713

On Fri, Sep 22, 2017 at 8:58 AM, <richard.gildea at diamond.ac.uk> wrote:

> I was unaware that the code was actually used by anyone.
>
> So does anyone know enough about the code to fix the failing test that
> Oleg and Graeme both complained about?
>
> Cheers,
>
> Richard
>
> Dr Richard Gildea
> Data Analysis Scientist
> Tel: +441235 77 8078
>
> Diamond Light Source Ltd.
> Diamond House
> Harwell Science & Innovation Campus
> Didcot
> Oxfordshire
> OX11 0DE
> ________________________________
> From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online.org]
> on behalf of Aaron Brewster [asbrewster at lbl.gov]
> Sent: 22 September 2017 15:56
> To: cctbx mailing list
> Subject: Re: [cctbxbb] rstbx test is failing without indication in
> test_all_parallel
>
> FWIW I have used it on several occasions to understand how diffraction
> looks for different settings.  For example, when I was working on amyloids
> on the cspad detector I would run it like this:
>
> rstbx.simage.wx_display unit_cell=24.1460,4.8614,22.2291,90.000,107.319,90.000
> wavelength=1.452514 detector.distance=111 detector.size=194.15,194.15
> detector.pixels=1765,1765 ewald_proximity=0.042500 point_spread=20
>
> Twiddle the rotx, roty and rotz.  It's nifty.
>
> I don't see any reason to kill this code.
>
> -Aaron
>
>
> On Fri, Sep 22, 2017 at 4:22 AM, <markus.gerstel at diamond.ac.uk<mailto:
> markus.gerstel at diamond.ac.uk>> wrote:
> This appears to be true: looking through cctbx_project, dials, labelit,
> phenix, phenix_regression I found no references apart from the tests that
> sparked this thread.
> I would just remove it for retirement - it will be preserved in the
> history.
>
> -Markus
> ________________________________________
> From: cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-bounces@
> phenix-online.org> [cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-
> bounces at phenix-online.org>] on behalf of richard.gildea at diamond.ac.uk<
> mailto:richard.gildea at diamond.ac.uk> [richard.gildea at diamond.ac.uk<mailto:
> richard.gildea at diamond.ac.uk>]
> Sent: Friday, September 22, 2017 12:08
> To: cctbxbb at phenix-online.org<mailto:cctbxbb at phenix-online.org>
> Subject: Re: [cctbxbb] rstbx test is failing without indication in
> test_all_parallel
>
> As far as I recall rstbx/simage was a research project by Ralf that hasn't
> been touched for over 5 years, and isn't used by any code outside of
> rstbx/simage. Could this code be potentially "retired" somewhere outside of
> cctbx?
>
> Dr Richard Gildea
> Data Analysis Scientist
> Tel: +441235 77 8078<tel:%2B441235%2077%208078>
>
> Diamond Light Source Ltd.
> Diamond House
> Harwell Science & Innovation Campus
> Didcot
> Oxfordshire
> OX11 0DE
> ________________________________
> From: cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-bounces@
> phenix-online.org> [cctbxbb-bounces at phenix-online.org<mailto:cctbxbb-
> bounces at phenix-online.org>] on behalf of Oleg Sobolev [osobolev at lbl.gov
> <mailto:osobolev at lbl.gov>]
> Sent: 20 September 2017 19:33
> To: cctbx mailing list
> Subject: [cctbxbb] rstbx test is failing without indication in
> test_all_parallel
>
> Dear colleagues,
>
> Accidentally I found out that this command:
>
> rstbx.simage.solver d_min=5 lattice_symmetry=P422 intensity_symmetry=P4
> index_and_integrate=True multiprocessing=True
> finishes with traceback.
>
> It is run as part of
> phenix_regression/misc/tst_rstbx.csh
>
> The second problem is that test_all_parallel script fails to detect an
> actual failure.
>
> It would be great if somebody who is in charge of rstbx and testing could
> look at this.
>
> Best regards,
> Oleg Sobolev.
>
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