Simulated scattering from a hollow-cylinder vanadium sample.
|The plot shows the intensity of scattered neutrons (red is
highest intensity). The sample is at the center of the sphere with the
neutron beam coming from the left. Clearly seen is the shadowing effect
of the sample causing a lower intensity opposite the beam. Also seen is
the effect of the non-symmetric geometry of the sample, causing lower intensity
directly above and to the side of the sample.|
Does the combination of DFT or classical MD with McStas for modeling experimental data sound interesting?
If so, please consider participating in the MDANSE 2018 event in Tenerife this fall. Registration closes on May 31st 2018.
(You can also read more in this a post to mcstas-users)
I have tested McStas 2.4.1 with the recent Ubuntu 18.04 LTS "bionic beaver", and the usual installation recipe works.
The only found issue so far relates to the behaviour of the Perl+PGPLOT mcplot.pl plotter which out of the box fails with the error message: "%giza - ERROR - giza_open_device: Unknown device, device not opened" (see below graphics also).
(In fact the problem was known already for Debian testing, see our related GitHub issue)
The following solutions/workarounds exist:
As some of you may have already seen via our facebook page or on twitter, a joint McStas-McXtrace team visited the 2018 GPU Hackathon in Dresden in March.
We can not a such claim that the software fully runs on NVIDIA GPU's, but we certainly gained knowledge and will investigate further. :-)
The team pariticpating in Dresden were
Here is a few photos from the event - and also a PDF from
the final presentation, put together by Mads Bertelsen,
University of Copenhagen
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