Hi All,
Max Skoda, cc:d here, has volunteered from NR.
I will let Max speak for himself, but he would be keen for some consideration of the
structure/content of our Nexus files.
Steve
From: Applin, Robert (STFC,RAL,ISIS) <robert.applin(a)stfc.ac.uk>
Sent: 02 January 2024 14:10
To: Cottrell, Stephen (STFC,RAL,ISIS) <stephen.cottrell(a)stfc.ac.uk>
Cc: Foxley, Sarah (STFC,RAL,ISIS) <sarah.foxley(a)stfc.ac.uk>uk>; King, Stephen
(STFC,RAL,ISIS) <stephen.king(a)stfc.ac.uk>uk>; mpb(a)mantidproject.org; Manuel, Pascal
(STFC,RAL,ISIS) <pascal.manuel(a)stfc.ac.uk>
Subject: RE: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi Steve,
Thank you, I’ll put you down as a key stakeholder in that case. It sounds like the
benchmarking should include the loading of event data as well as histogram data. Will one
of the stakeholders (Pascal, Steve or Dirk) be able to provide me with event data to use
for benchmarking?
Thanks,
Rob
From: Cottrell, Stephen (STFC,RAL,ISIS)
<stephen.cottrell@stfc.ac.uk<mailto:stephen.cottrell@stfc.ac.uk>>
Sent: Tuesday, January 2, 2024 11:13 AM
To: Applin, Robert (STFC,RAL,ISIS)
<robert.applin@stfc.ac.uk<mailto:robert.applin@stfc.ac.uk>>
Cc: Foxley, Sarah (STFC,RAL,ISIS)
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>>; King, Stephen
(STFC,RAL,ISIS) <stephen.king@stfc.ac.uk<mailto:stephen.king@stfc.ac.uk>>;
mpb@mantidproject.org<mailto:mpb@mantidproject.org>; Manuel, Pascal (STFC,RAL,ISIS)
<pascal.manuel@stfc.ac.uk<mailto:pascal.manuel@stfc.ac.uk>>
Subject: RE: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi,
Muons currently have the problem that loading a large number of small files (as required
by the ALC interface) is very time consuming, so good to see this on the list for
benchmarking. I would be a stakeholder for this.
In the future the muon community will be dealing with large datasets gathered in event
mode (rather than the current datasets containing histograms), filtering events (e.g. by
time) to create histograms. Hard to be specific at present as there’s a lot about this
still in design at present. However, I guess neutron instruments are already doing this
(?), so perhaps this is already covered?
Steve
From: Robert Applin - STFC UKRI
<robert.applin@stfc.ac.uk<mailto:robert.applin@stfc.ac.uk>>
Sent: Tuesday, January 2, 2024 9:32 AM
To: Manuel, Pascal (STFC,RAL,ISIS)
<pascal.manuel@stfc.ac.uk<mailto:pascal.manuel@stfc.ac.uk>>
Cc: Foxley, Sarah (STFC,RAL,ISIS)
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>>; King, Stephen
(STFC,RAL,ISIS) <stephen.king@stfc.ac.uk<mailto:stephen.king@stfc.ac.uk>>;
mpb@mantidproject.org<mailto:mpb@mantidproject.org>
Subject: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi Pascal and MPB,
I hope you had a good Christmas break. As an estimate I would say that the “Nexus file
handling consolidation” would take 2 releases to complete (at least), so I would say its
timescale matches more with it being an Epic rather than BAU.
Ok, just to keep track of the benchmarking we want to do:
- Loading large files
- Loading a large number of small files
- Loading partial files
The key stakeholders I have written down at the moment are:
- Pascal
- Dirk Honecker
- A NR representative
Who would be a good representative for NR? Do we want any other key stakeholders?
Once we have agreed on all key stakeholders, the next thing will be for me to ask these
stakeholders for data that will allow me to benchmark for the cases listed above.
Thanks,
Rob
From: Manuel, Pascal (STFC,RAL,ISIS)
<pascal.manuel@stfc.ac.uk<mailto:pascal.manuel@stfc.ac.uk>>
Sent: Wednesday, December 20, 2023 10:51 AM
To: Applin, Robert (STFC,RAL,ISIS)
<robert.applin@stfc.ac.uk<mailto:robert.applin@stfc.ac.uk>>
Cc: Foxley, Sarah (STFC,RAL,ISIS)
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>>; King, Stephen
(STFC,RAL,ISIS) <stephen.king@stfc.ac.uk<mailto:stephen.king@stfc.ac.uk>>;
mpb@mantidproject.org<mailto:mpb@mantidproject.org>
Subject: Re: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi Rob,
Thanks for the reply. It indeed sounds like a bit of a mess we have put ourselves in.
I am just not clear whether this warrants an EPIC or if this should be a BAU item but
maybe I still misunderstand the distinction.
Another test I can think of but didnt specifically write is the speed to load partial
files.
ON WISH for instance, loading just the monitors (ie just 5 spectra out of 200000) still
takes a long time and this is something you might want to do across many many files to
check stability.
Re. Benchmarking, at the very least, we should compare with scipp (I have not used it
myself but I have heard it is faster). There are also many libraries that are found in the
X-ray world (some can be downloaded from SOLEIL synchrotron website if I recall correctly)
that are designed to access lots of data very quickly. I think it could also be worth
having a chat with Tristan as he has done some work on this, including recently, for the
disordered materials data analysis software.
Hope this helps,
P
Sent from my iPad
On 20 Dec 2023, at 09:55, Applin, Robert (STFC,RAL,ISIS)
<robert.applin@stfc.ac.uk<mailto:robert.applin@stfc.ac.uk>> wrote:
Hi Pascal,
The enabler epic is called “Nexus file handling consolidation”. After speaking with
Martyn, its become clear that we currently access nexus files in three different ways
across the Mantid code base:
1. Using the HDF5 API directly
2. Using the NeXus API directly
3. Using our own internal wrapper around the NeXus API
This spread of mechanisms presents several challenges for developers including increased
maintenance, a requirement for more domain knowledge, and repeated bugs in near duplicate
code across each implementation. Furthermore, our own internal wrapper around the NeXus
API causes performance bottlenecks, and it is also believed that the NeXus API is less
performant than the HDF5 API.
Given that all modern files are HDF5 (with the possible exception of the HDF4 files
created by Muon?), we wish to consolidate these mechanisms so that we only use the HDF5
API and a more performant internal wrapper around the HDF5 API. This will make it easier
to identify other performance bottlenecks in the loading process, and might also provide a
performance improvement in and of itself.
So in short, this enabler epic is related to the “Nexus load optimization” epic. It should
make it easier for developers to identify bottlenecks, and may also provide a performance
improvement.
What are the available routines that we want to benchmark against?
Thanks,
Rob
From: Pascal Manuel - STFC UKRI
<pascal.manuel@stfc.ac.uk<mailto:pascal.manuel@stfc.ac.uk>>
Sent: Tuesday, December 19, 2023 5:26 PM
To: Foxley, Sarah (STFC,RAL,ISIS)
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>>
Cc: King, Stephen (STFC,RAL,ISIS)
<stephen.king@stfc.ac.uk<mailto:stephen.king@stfc.ac.uk>>;
mpb@mantidproject.org<mailto:mpb@mantidproject.org>
Subject: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi Sarah,
I think the project is simple enough; improve loading speed so I am not sure we should
really absolutely every group represented there but I am happy to take the hit for
diffraction. The test will be in speed improvement and it should be done with loading a
certain number of big files and also loading a big number of small files to be
representative of everyone’s need.
There are a few available routines that seem to do a quicker job at the moment that we
should benchmark against.
What is the enabler project?
Best
P
Sent from my iPhone
On 19 Dec 2023, at 16:55, Sarah Foxley - STFC UKRI
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>> wrote:
Hi Steve,
That’s great thanks. Should we have someone from Reflectometry too or is Dirk ok to
represent them too?
Thanks
Sarah
From: Stephen King - STFC UKRI
<stephen.king@stfc.ac.uk<mailto:stephen.king@stfc.ac.uk>>
Sent: 19 December 2023 16:45
To: mpb@mantidproject.org<mailto:mpb@mantidproject.org>
Subject: [Mpb] Re: Nexus loading epic - stakeholders needed
Hi Sarah,
Dirk Honecker has volunteered for SANS.
Thanks,
Steve
From: Sarah Foxley - STFC UKRI
<sarah.foxley@stfc.ac.uk<mailto:sarah.foxley@stfc.ac.uk>>
Sent: 18 December 2023 16:22
To: mpb@mantidproject.org<mailto:mpb@mantidproject.org>
Subject: [Mpb] Nexus loading epic - stakeholders needed
Dear all,
We are progressing with drafting two epics to improve Nexus loading (main project and an
enabler project) with the hope of putting them up for review at the next meeting in
February. For the main epic we need key stakeholders from the different science groups. At
the moment Rob has listed board members. However I wondered if there were any others he
could approach instead? I’m more than happy if you all feel you would be appropriate
stakeholders but wanted to make sure before we finish drafting this one.
For reference this is the main epic that I’m needing stakeholders for -
https://isisneutronmuon.atlassian.net/jira/software/c/projects/SS/boards/5?…
For info – both of the epics are a bit more fully formed than when Pas looked last week.
Unfortunately Rob’s initial attempts to upload the information did not work! All resolved
now though.
Please could you let me know of any alternative/additional stakeholders by 12th January?
Thanks
Sarah
Sarah Foxley
Mantid Team Leader and Mantid Project Manager
Science and Technology Facilities Council
Phone – 01235 446938
sarah.foxley@stfc.ukri.org<mailto:sarah.foxley@stfc.ukri.org>
She/Her/Hers
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