From wildgrubercu at ornl.gov Mon Apr 26 16:10:37 2021 From: wildgrubercu at ornl.gov (Wildgruber, Christoph U.) Date: Mon, 26 Apr 2021 14:10:37 +0000 Subject: [mcstas-users] using 'icc' in 'oneAPI' Message-ID: <7AD92C79-18CF-41DB-B0FD-98F4127EA7BE@ornl.gov> Hi everybody, I justy started learning a little bit about intel?s oneAPI. My fist little project was top recompile one of my more demanding instruments with icc on my (intel) laptop. That went well, but I was disappointed about the code performance using the default options for icc which is no big surprise. I am looking for suggestions what compiler switches I should consider to use. Of course I am also wondering what other mcstas users experienced with respect to icc in oneAPI.. Thanks a bunch, Uli P.S. No GPU?s involved at this point, I am just starting :-) From pkwi at fysik.dtu.dk Wed Apr 28 09:12:25 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Wed, 28 Apr 2021 07:12:25 +0000 Subject: [mcstas-users] using 'icc' in 'oneAPI' In-Reply-To: <7AD92C79-18CF-41DB-B0FD-98F4127EA7BE@ornl.gov> References: <7AD92C79-18CF-41DB-B0FD-98F4127EA7BE@ornl.gov> Message-ID: <784B568E-DE6B-4199-ADE5-8C638E06A786@fysik.dtu.dk> Hi Uli, I also heard good things about Intel oneAPI, but was not really animated to try it out until now. (On the other hand I also don?t have any boxes with FPGA?s or Intel GPU?s, which in my understanding is where oneAPI starts to make the most sense.) Using the default CFLAGS it certainly does not seem worth the effort, at least on macOS, here is a table with results from MPI-runs on 3 configurations: 1) clang + MPI on my Intel i7 2,7Ghz 2) oneAPI / icc + MPI on my Intel i7 2,7Ghz 3) clang + MPI on my fresh Apple M1 -> http://tmp.mcstas.org/3.0-dev-test/ As I write this I am running the same test on a Linux box with gcc and oneAPI, these will be uploaded to the same URL later - after which I will look into further optim flags etc. - In the past I did recommend to use icc in place of gcc as it used to give a factor of 2 in performance, but it seems Open Source stroke back in the form of llvm/clang... Best, Peter On 26 Apr 2021, at 16.10, Wildgruber, Christoph U. > wrote: Hi everybody, I justy started learning a little bit about intel?s oneAPI. My fist little project was top recompile one of my more demanding instruments with icc on my (intel) laptop. That went well, but I was disappointed about the code performance using the default options for icc which is no big surprise. I am looking for suggestions what compiler switches I should consider to use. Of course I am also wondering what other mcstas users experienced with respect to icc in oneAPI.. Thanks a bunch, Uli P.S. No GPU?s involved at this point, I am just starting :-) _______________________________________________ mcstas-users mailing list mcstas-users at mcstas.org https://mailman2.mcstas.org/mailman/listinfo/mcstas-users Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics [cid:image001.gif at 01CCCAF1.5E6331F0] Technical University of Denmark [cid:image002.gif at 01CCCAF1.5E6331F0] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... 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Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From emmanuel.farhi at synchrotron-soleil.fr Fri May 7 11:47:21 2021 From: emmanuel.farhi at synchrotron-soleil.fr (FARHI Emmanuel) Date: Fri, 7 May 2021 11:47:21 +0200 (CEST) Subject: [mcstas-users] Open position at Synchrotron Soleil, France: e-learning TeSS and McXtrace Jupyter Notebooks Message-ID: <996951440.1917842.1620380841478.JavaMail.zimbra@synchrotron-soleil.fr> Dear colleagues, We offer a post-doc position to : * install and develop an e-learning/news aggregator web service based on TeSS Exlixir (mostly coded in Ruby) * install and develop Jupyter Notebooks for the McXtrace (McStas fork for X rays) ray-tracing simulation tool (mostly C and Python) We seek for talented candidates with coding capabilities in C, Python and/or Ruby. Experience in physics, neutron and/or X-ray instrumentation/modelling would be an asset. The job can be arranged to be mostly done remotely. Synchrotron Soleil is next to Paris - a small town in France with unknown stuff like the Eiffel Tower, Notre Dame, etc. The position is funded until Feb 2023, and can be discussed for extension. The job advert, translated from French is available at: * [ https://translate.google.com/translate?hl=en&sl=fr&tl=en&u=https%3A%2F%2Fwww.synchrotron-soleil.fr%2Ffr%2Femplois%2Fingenieur-developpement-logiciel | https://translate.google.com/translate?hl=en&sl=fr&tl=en&u=https%3A%2F%2Fwww.synchrotron-soleil.fr%2Ffr%2Femplois%2Fingenieur-developpement-logiciel ] Hope to hear from you soon ! Do not hesitate to contact me at [ mailto:emmanuel.farhi at synchrotron-soleil.fr | emmanuel.farhi at synchrotron-soleil.fr ] for any question and have a nice chat about this position. You are welcome to circulate this job offer. Emmanuel FARHI -- / ___| __/\_ | | | ____|_ _| | FARHI Emmanuel \___ \ \ | | | _| | || | Div Exp/Data Reduction and Analysis Team ___) /_ _ | |___| |___ | || |___ Tel : +33 (1) 69 35 96 04 |____/ \/ |_____|_____|___|_____| Saint-Aubin BP 48 - 91192 GIF/YVETTE CEDEX SYNCHROTRON http://www.synchrotron-soleil.fr -------------- next part -------------- An HTML attachment was scrubbed... URL: From bigault at ill.fr Tue Jun 1 18:57:13 2021 From: bigault at ill.fr (Thierry Bigault) Date: Tue, 1 Jun 2021 18:57:13 +0200 Subject: [mcstas-users] Component Monochromator-reflect Message-ID: Dear McStas, I am trying to make calculations with mosaic crystals. The following paper states that a new component, called Monochormator-reflect, was introduced in order to overcome some limitations of Monochromator_curved: L. Alianelli, N. Wilson, K.H. Andersen, M. S?nchez del R??o, R. Felici, A method for detailed simulations of neutron diffraction from imperfect crystals, Nucl. Instr. Meth A 529 (2004) 231?233. Does anyone know what this became ? Was it included into another more sophisticated component that can be used to simulate monochromators, like Single_crystal ? Thierry Bigault -- -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Tue Jun 1 19:53:34 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Tue, 1 Jun 2021 17:53:34 +0000 Subject: [mcstas-users] Component Monochromator-reflect In-Reply-To: References: Message-ID: Dear Thierry, On 1 Jun 2021, at 18.57, Thierry Bigault > wrote: I am trying to make calculations with mosaic crystals. The following paper states that a new component, called Monochormator-reflect, was introduced in order to overcome some limitations of Monochromator_curved: L. Alianelli, N. Wilson, K.H. Andersen, M. S?nchez del R??o, R. Felici, A method for detailed simulations of neutron diffraction from imperfect crystals, Nucl. Instr. Meth A 529 (2004) 231?233. Does anyone know what this became ? Was it included into another more sophisticated component that can be used to simulate monochromators, like Single_crystal ? I do have a copy of the said component component somewhere, but could not locate it at first glance. I am also sure both Erik and Emmanuel has a copy. I am however also sure that it will not work ?out of the box?. :) ( The reason that the component never made it into the official McStas release was in a way simple: It relied on an inputfile that was prepared using an IDL procedure-code, which we thought was a very nasty dependency?) What specific advanced feature(s) are you looking for? We do have a number of other good alternatives, e.g. Single_crystal or NCrystal. Best, Peter Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics [cid:b6339554-7f28-441d-9f31-5944f811397c at win.dtu.dk] Technical University of Denmark [cid:e108e480-fcab-46e2-9531-b38165079572 at win.dtu.dk] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: image001.gif URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From Deon.Marais at necsa.co.za Wed Jun 2 11:06:53 2021 From: Deon.Marais at necsa.co.za (Deon Marais) Date: Wed, 2 Jun 2021 09:06:53 +0000 Subject: [mcstas-users] MCStas and MCNP6.2 Message-ID: <34a1b8eef96a4b099cf258cbfdded144@necsa.co.za> Good day. Has anyone used the ?Virtual_mcnp_ss_input? component with wssa (rssa) files generated with MCNP version 6.2? I guess the file format has changed from version 5 as I get the following error: At line 63 of file neutronics-subs.f (unit = 123, file = 'rssa') Fortran runtime error: I/O past end of record on unformatted file Any recommendations? Regards, Deon Deon Marais Senior Engineer Tel: +27 12 305 5645 Fax: +27 12 305 5851 Cell: +27 72 435 1137 Email: Deon.Marais at necsa.co.za Website: www.necsa.co.za [cid:imagebd1e95.JPG at c6e58abd.44bcf052] [Facebook] [Twitter] [LinkedIn] ________________________________ This message contains confidential information and is intended only for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail by mistake and delete this e-mail from your system. E-mail transmission cannot be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, arrive late or incomplete, or contain viruses. The sender therefore does not accept liability for any errors or omissions in the contents of this message, which arise as a result of e-mail transmission. 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Name: imagea5ea86.PNG Type: image/png Size: 648 bytes Desc: imagea5ea86.PNG URL: From pkwi at fysik.dtu.dk Wed Jun 2 11:16:19 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Wed, 2 Jun 2021 09:16:19 +0000 Subject: [mcstas-users] MCStas and MCNP6.2 In-Reply-To: <34a1b8eef96a4b099cf258cbfdded144@necsa.co.za> References: <34a1b8eef96a4b099cf258cbfdded144@necsa.co.za> Message-ID: <6D40F50E-08C0-498F-B502-F769C0950A88@fysik.dtu.dk> Hi Deon, My recommendation would be to try using MCPL_input instead? 1) Use the ssw2mcpl tool (distributed with McStas since ~ 2.3 if I remember correctly) on your wssa to generate an mcpl-file (perhaps the original MCNP deck is required) 2) Use MCPL_input on your newly generated mcpl-file In fact we are likely to completely drop support for older event-file formats and related components within the next couple of releases. Best and hope this helps, Peter On 2 Jun 2021, at 11.06, Deon Marais > wrote: Good day. Has anyone used the ?Virtual_mcnp_ss_input? component with wssa (rssa) files generated with MCNP version 6.2? I guess the file format has changed from version 5 as I get the following error: At line 63 of file neutronics-subs.f (unit = 123, file = 'rssa') Fortran runtime error: I/O past end of record on unformatted file Any recommendations? Regards, Deon Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics [cid:image001.gif at 01CCCAF1.5E6331F0] Technical University of Denmark [cid:image002.gif at 01CCCAF1.5E6331F0] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: image001.gif URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From pkwi at fysik.dtu.dk Wed Jun 2 11:19:33 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Wed, 2 Jun 2021 09:19:33 +0000 Subject: [mcstas-users] MCStas and MCNP6.2 In-Reply-To: <6D40F50E-08C0-498F-B502-F769C0950A88@fysik.dtu.dk> References: <34a1b8eef96a4b099cf258cbfdded144@necsa.co.za> <6D40F50E-08C0-498F-B502-F769C0950A88@fysik.dtu.dk> Message-ID: Hi again, I forgot to mention that ssw2mcpl / MCPL itself has support for most MCNP/MCNPX versions since v5, but please talk to the the team ( https://mctools.github.io/mcpl/contact/ ) if something is not working as expected. Best Peter On 2 Jun 2021, at 11.16, Peter Kj?r Willendrup > wrote: Hi Deon, My recommendation would be to try using MCPL_input instead? 1) Use the ssw2mcpl tool (distributed with McStas since ~ 2.3 if I remember correctly) on your wssa to generate an mcpl-file (perhaps the original MCNP deck is required) 2) Use MCPL_input on your newly generated mcpl-file In fact we are likely to completely drop support for older event-file formats and related components within the next couple of releases. Best and hope this helps, Peter On 2 Jun 2021, at 11.06, Deon Marais > wrote: Good day. Has anyone used the ?Virtual_mcnp_ss_input? component with wssa (rssa) files generated with MCNP version 6.2? I guess the file format has changed from version 5 as I get the following error: At line 63 of file neutronics-subs.f (unit = 123, file = 'rssa') Fortran runtime error: I/O past end of record on unformatted file Any recommendations? Regards, Deon Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics Technical University of Denmark Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: From erkn at fysik.dtu.dk Wed Jun 2 13:18:53 2021 From: erkn at fysik.dtu.dk (Erik B Knudsen) Date: Wed, 2 Jun 2021 13:18:53 +0200 Subject: [mcstas-users] Component Monochromator-reflect In-Reply-To: References: Message-ID: <95563298-5a87-b974-1784-47eaba038e57@fysik.dtu.dk> Dear Thierry, You could definitely use Single_crystal or, if it is an assembly of crystals you want, a Union of single crystals for mosaic crystals. Is there a specific geometry you are targeting? Please note that Single_crystal has effectively 4 ways of modelling mosaic, depending on your situation. cheers Erik On 01/06/2021 19:53, Peter Kj?r Willendrup wrote: > Dear Thierry, > > >> On 1 Jun 2021, at 18.57, Thierry Bigault > > wrote: >> >> I am trying to make calculations with mosaic crystals. The following >> paper states that a new component, called Monochormator-reflect, was >> introduced in order to overcome some limitations of Monochromator_curved: >> >> L. Alianelli, N. Wilson, K.H. Andersen, M. S?nchez del R??o, R. Felici, >> A method for detailed simulations of neutron diffraction from >> imperfect crystals, Nucl. Instr. Meth A 529 (2004) 231?233. >> >> Does anyone know what this became ? Was it included into another more >> sophisticated component that can be used to simulate monochromators, >> like Single_crystal ? > > I do have a copy of the said component component somewhere, but could > not locate it at first glance. I am also sure both Erik and Emmanuel has > a copy. I am however also sure that it will not work ?out of the box?. :) > > ( The reason that the component never made it into the official McStas > release was in a way simple: > ?It relied on an inputfile that was prepared using an IDL > procedure-code, which we thought was a very nasty dependency?) > > What specific advanced feature(s) are you looking for? We do have a > number of other good alternatives, e.g. Single_crystal or NCrystal. > > > Best, > Peter > > > Peter Kj?r Willendrup > Forskningsingeni?r, Specialkonsulent > N?stformand for DTU Fysik LSU > > DTU Physics > > > > > > Technical University of Denmark > > > > > > > Department of?Physics > Fysikvej > Building 307 > DK-2800 Kongens Lyngby > Direct +45 2125 4612 > Mobil +45 2125 4612 > Fax +45 4593 2399 > pkwi at fysik.dtu.dk > > > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > https://mailman2.mcstas.org/mailman/listinfo/mcstas-users > -- Erik Bergb?ck Knudsen, Research Engineer | DTU | morituri NEXMAP, DTU Fysik, DK-2800 Kgs. Lyngby, Denmark |<>-<>| te phone: (+45) 2132 6655 |<>-<>| salutant From bigault at ill.fr Thu Jun 3 16:02:29 2021 From: bigault at ill.fr (Thierry Bigault) Date: Thu, 3 Jun 2021 16:02:29 +0200 Subject: [mcstas-users] Component Monochromator-reflect In-Reply-To: <95563298-5a87-b974-1784-47eaba038e57@fysik.dtu.dk> References: <95563298-5a87-b974-1784-47eaba038e57@fysik.dtu.dk> Message-ID: <4831e17b-fca0-3cc8-c917-280d1e7d4dcf@ill.fr> Dear Erik and Peter, Thanks for your answers. Le 02/06/2021 ? 13:18, Erik B Knudsen a ?crit?: > Dear Thierry, > > You could definitely use Single_crystal or, if it is an assembly of > crystals you want, a Union of single crystals for mosaic crystals. Is > there a specific geometry you are targeting? My aim is to optimize the design of a monochromator for an angle-dispersive reflectometer with a fixed take-off angle, and whose scattering plane is horizontal. I would like to estimate the performance of crystals (e.g. Si 111) which are both mosaic and bent horizontally, along a cylinder. The bending is expected to result in an additional effective mosaic contribution, which depends on thickness. This should combine with intrinsic mosaic and extinction effects. Ideally I would also like to look at the harmonics contributions. As I understood Monochromator_curved cannot do all of these, because it is infinitely thin, it does not calculate structure factors and the reflectivity is given empirically rather than being deduced form the crystal structure. I started using Monochromator_curved, because I also want the monochromator to focus vertically. For this I use several crystals, which are positioned with different angles but not bent in vertical. This is easily implemented with this component. Maybe the treatment of the vertical direction could be decoupled from the horizontal, if things are getting too complicated. Concerning Single_crystal, I thought it was not suited, since the first sentence in the component manual says it? "models a thick, ?at single crystal..." But on the web help (http://www.mcstas.org/download/components/samples/Single_crystal.html) it looks quite different: "The crystal lattice can be bent locally, keeping the external geometry unchanged. Curvature is spherical along vertical and horizontal axes." And I see now that one can enter RX and RY parameters, so I guess it should work. Concerning the other points: - "4 ways of modelling mosaic, depending on your situation": which one would you recommend in my case ? I will assume isotropic mosaicities (except the contribution of bending). Beyond this I did not try yet to understand the subtleness of the different methods. - I do not how Union works, and didn't find it in the manual. Is it something new in McStas 3.0 ? I am learning with 2.6.1 on Windows, and I am far from being a software expert. - If Single_crystal does the job, I was wondering why Lucia Alianelli developped a new component for mosaic crystals. Do you know if the modelling approach is different, or is it better suited to particular cases ? As she published some systematic comparisons with measurements on real crystals, do you know if similar things were done to validate the Single_Crystal component ? Thierry > > Please note that Single_crystal has effectively 4 ways of modelling > mosaic, depending on your situation. > > cheers > Erik > > On 01/06/2021 19:53, Peter Kj?r Willendrup wrote: >> Dear Thierry, >> >> >>> On 1 Jun 2021, at 18.57, Thierry Bigault >> > wrote: >>> >>> I am trying to make calculations with mosaic crystals. The following >>> paper states that a new component, called Monochormator-reflect, was >>> introduced in order to overcome some limitations of >>> Monochromator_curved: >>> >>> L. Alianelli, N. Wilson, K.H. Andersen, M. S?nchez del R??o, R. >>> Felici, A method for detailed simulations of neutron diffraction >>> from imperfect crystals, Nucl. Instr. Meth A 529 (2004) 231?233. >>> >>> Does anyone know what this became ? Was it included into another >>> more sophisticated component that can be used to simulate >>> monochromators, like Single_crystal ? >> >> I do have a copy of the said component component somewhere, but could >> not locate it at first glance. I am also sure both Erik and Emmanuel >> has a copy. I am however also sure that it will not work ?out of the >> box?. :) >> >> ( The reason that the component never made it into the official >> McStas release was in a way simple: >> ??It relied on an inputfile that was prepared using an IDL >> procedure-code, which we thought was a very nasty dependency?) >> >> What specific advanced feature(s) are you looking for? We do have a >> number of other good alternatives, e.g. Single_crystal or NCrystal. >> >> >> Best, >> Peter >> >> >> Peter Kj?r Willendrup >> Forskningsingeni?r, Specialkonsulent >> N?stformand for DTU Fysik LSU >> >> DTU Physics >> >> >> >> >> >> Technical University of Denmark >> >> >> >> >> >> >> Department of?Physics >> Fysikvej >> Building 307 >> DK-2800 Kongens Lyngby >> Direct +45 2125 4612 >> Mobil +45 2125 4612 >> Fax +45 4593 2399 >> pkwi at fysik.dtu.dk >> >> >> _______________________________________________ >> mcstas-users mailing list >> mcstas-users at mcstas.org >> https://mailman2.mcstas.org/mailman/listinfo/mcstas-users >> > -- Logo ILL Dr. Thierry BIGAULT Research Engineer Multlayer Neutron Optics *Institut Max von Laue - Paul Langevin (ILL)* 71, avenue des Martyrs - CS 20156 38042 Grenoble cedex 9 - France +33 (0)4 76 20 76 95 bigault at ill.eu -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Fri Jun 4 08:29:32 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Fri, 4 Jun 2021 06:29:32 +0000 Subject: [mcstas-users] Component Monochromator-reflect In-Reply-To: <4831e17b-fca0-3cc8-c917-280d1e7d4dcf@ill.fr> References: <95563298-5a87-b974-1784-47eaba038e57@fysik.dtu.dk> <4831e17b-fca0-3cc8-c917-280d1e7d4dcf@ill.fr> Message-ID: <9E191127-7C4C-4CA6-80A4-79DF6C9D9BF2@fysik.dtu.dk> Dear Thierry, On 3 Jun 2021, at 16.02, Thierry Bigault > wrote: My aim is to optimize the design of a monochromator for an angle-dispersive reflectometer with a fixed take-off angle, and whose scattering plane is horizontal. I would like to estimate the performance of crystals (e.g. Si 111) which are both mosaic and bent horizontally, along a cylinder. The bending is expected to result in an additional effective mosaic contribution, which depends on thickness. This should combine with intrinsic mosaic and extinction effects. Ideally I would also like to look at the harmonics contributions. As I understood Monochromator_curved cannot do all of these, because it is infinitely thin, it does not calculate structure factors and the reflectivity is given empirically rather than being deduced form the crystal structure. I started using Monochromator_curved, because I also want the monochromator to focus vertically. For this I use several crystals, which are positioned with different angles but not bent in vertical. This is easily implemented with this component. Maybe the treatment of the vertical direction could be decoupled from the horizontal, if things are getting too complicated. Concerning Single_crystal, I thought it was not suited, since the first sentence in the component manual says it "models a thick, ?at single crystal..." But on the web help (http://www.mcstas.org/download/components/samples/Single_crystal.html) it looks quite different: "The crystal lattice can be bent locally, keeping the external geometry unchanged. Curvature is spherical along vertical and horizontal axes." And I see now that one can enter RX and RY parameters, so I guess it should work. Good point, the documentation for Single_crystal could indeed need an overhaul. I believe that the RX/RY approach could work in your case. Concerning the other points: - "4 ways of modelling mosaic, depending on your situation": which one would you recommend in my case ? I will assume isotropic mosaicities (except the contribution of bending). Beyond this I did not try yet to understand the subtleness of the different methods. This is probably also the relevant parametrisation in most cases. For a deeper understanding of the other models I recommend having a look at the illustrations in the component manual together with the component doc text. - I do not how Union works, and didn't find it in the manual. Is it something new in McStas 3.0 ? I am learning with 2.6.1 on Windows, and I am far from being a software expert. The Union subsystem (for now) has a stand-alone manual, see https://github.com/McStasMcXtrace/McCode/blob/master/doc/Union/union_manual_v0.91.pdf . It implements the possibility of making an assembly of McStas ?sample? volumes and handles the scattering-processes with that assembly, for instance allowing any order of multiple scattering back and forth between the elements of the assembly. There are a number of example instruments included in your 2.6.1 for inspiration. - If Single_crystal does the job, I was wondering why Lucia Alianelli developped a new component for mosaic crystals. Do you know if the modelling approach is different, or is it better suited to particular cases ? As she published some systematic comparisons with measurements on real crystals, do you know if similar things were done to validate the Single_Crystal component ? First of all, at the time of this development some doubts had been raised about the validity of certain aspects of the Single_crystal model which later were found to be heavily exaggerated. Further, Lucia?s work was a central part of her PhD work https://www.esrf.fr/computing/scientific/people/srio/publications/alianelli_thesis.pdf and also became part of the NOP https://www.esrf.fr/computing/scientific/people/srio/publications/alianelli_PhysicaB_NOP.pdf extension of Manuel S?nchez del R?o?s XOP package. Also, Single_crystal claims to be a ?perfect imperfect? single crystal, in the sense that the imperfections are described by a gaussian model of mosaic and lattice variations, whereas Lucia?s work takes a more microscopic / discrete approach to the problem. Wrt. experimental validation of Single_crystal several experiments were done along the way, but the most extensive one probably in connection with Linda Udby?s PhD thesis: https://www.nbi.ku.dk/english/theses/phd-theses/linda-udby/Linda_phd_final.pdf Best and hope this helps, Peter Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics [cid:b6339554-7f28-441d-9f31-5944f811397c at win.dtu.dk] Technical University of Denmark [cid:e108e480-fcab-46e2-9531-b38165079572 at win.dtu.dk] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: image001.gif URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From andyfaff at gmail.com Thu Jun 10 08:19:04 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Thu, 10 Jun 2021 16:19:04 +1000 Subject: [mcstas-users] Disk chopper angular definitions Message-ID: I'm trying to simulate up a 4 disk chopper system, as used in Platypus (ANSTO) or FIGARO (ILL). For those disks the window opening is at 3 o'clock, rather than 12 o'clock. To account for this I rotate the DiskChopper component as "ROTATED (0, 0, +90) ABSOLUTE". When I run a trace the disk window is rotated clockwise to 3 o'clock, which is what I wanted, and which indicates that a positive angle refers to a clockwise rotation (i.e. a right hand coordinate system). I therefore assume that a positive rotation frequency (`nu > 0` corresponds to a clockwise rotation when looking from the source to the detector (from -z to +z). Is this correct? However, when I set the `phase` of the DiskChopper to +30 the window of the disk in the trace appears to have moved anticlockwise when looking down the beamline. This is the opposite to what I would have expected, +ve angle moving things clockwise. It's not clear to me what phase means in this situation, can someone clear up my confusion please? Andrew. -------------- next part -------------- An HTML attachment was scrubbed... URL: From appel at ill.fr Thu Jun 10 21:41:22 2021 From: appel at ill.fr (Markus APPEL) Date: Thu, 10 Jun 2021 21:41:22 +0200 Subject: [mcstas-users] Disk chopper angular definitions In-Reply-To: References: Message-ID: Hi Andrew, looking into the source code of DiskChopper, I think that the mcdisplay visualization of the DiskChopper might not always correspond to what it is really doing to the neutron beam in terms of the phase setting and rotation direction (visualization of the component is programmed independently of its TRACE section). I suggest to check "experimentally" what the chopper is doing instead of relying on the component visualization, e.g. by putting a Monitor_nD right behind the chopper and do a 2D intensity image plot with TOF vs. y-position. Then it should be clear if the slit crosses the guide from top to bottom or vice versa, and how a different phase setting shifts the pulse. If the goal of the non-zero phase setting is to account for the TOF delay of the neutrons between different choppers, it might be more convenient to use the 'delay' parameter. Cheers, Markus On 10/06/2021 08:19, Andrew Nelson wrote: > I'm trying to simulate up a 4 disk chopper system, as used in Platypus > (ANSTO) or FIGARO (ILL). For those disks the window opening is at 3 > o'clock, rather than 12 o'clock. > > To account for this I rotate the DiskChopper component as "ROTATED (0, > 0, +90) ABSOLUTE". When I run a trace the disk window is rotated > clockwise to 3 o'clock, which is what I wanted, and which indicates that > a positive angle refers to a clockwise rotation (i.e. a right hand > coordinate system). > I therefore assume that a positive rotation frequency (`nu > 0` > corresponds to a clockwise rotation when looking?from the source to the > detector (from -z to?+z). Is this correct? > > However, when I set the `phase` of the DiskChopper to?+30 the window of > the disk in the trace appears to have moved anticlockwise when looking > down the beamline. This is the opposite to what I would have expected, > +ve angle moving things clockwise. It's not clear to me what phase means > in this situation, can someone clear up my confusion please? > > Andrew. > > > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > https://mailman2.mcstas.org/mailman/listinfo/mcstas-users > From andyfaff at gmail.com Fri Jun 11 04:35:36 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Fri, 11 Jun 2021 12:35:36 +1000 Subject: [mcstas-users] Disk chopper angular definitions In-Reply-To: References: Message-ID: Dear Markus, thank you for the reply. Perhaps naively I would expect the trace to correspond to what happens with the actual simulation. I have done something along the lines you suggest, see end of email. The TOF monitor is shifted along the +ve x direction, which is to the right when looking from the detector to the source (it'd be roughly where the 'h' label is in fig 6.1) When nu is positive the TOF monitor has a pulse distribution whose offset is shifted to positive times. I think this means that the midpoint of the disk window has already crossed the y-axis before it gets to the monitor. This must mean that the direction of rotation is clockwise when looking along z from +ve to -ve. When nu is negative the TOF monitor has a pulse distribution whose offset is shifted to negative times. This must mean that the direction of rotation is anticlockwise when looking along z from +ve to -ve. Is this assessment correct? If so, then this is not what I expect from a right hand coordinate system. The direction of rotation from this concept experiment is the opposite of what's displayed in figure 6.1 of the component manual. =============================================================== DEFINE INSTRUMENT template_simple(Par1=1) DECLARE %{ %} INITIALIZE %{ %} TRACE COMPONENT origin = Progress_bar() AT (0, 0, 0) RELATIVE ABSOLUTE // insert components here (e.g. Insert -> Source -> ...) COMPONENT source_div = Source_div( xwidth=0.02, yheight=0.05, focus_aw=1, focus_ah=1, lambda0=2.8, dlambda=0.1) AT (0, 0, 0) RELATIVE PREVIOUS COMPONENT diskchopper = DiskChopper( theta_0=5, yheight=0.1, nu=24, isfirst=1) AT (0, 0, 0) RELATIVE PREVIOUS COMPONENT mon = TOF_monitor( filename="mon", xmin=0.005, xmax=0.01, ymin=-0.025, ymax=0.025, tmin=-500, tmax=500, restore_neutron=1) AT (0, 0, 0) RELATIVE PREVIOUS FINALLY %{ %} END -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Fri Jun 11 13:45:07 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Fri, 11 Jun 2021 11:45:07 +0000 Subject: [mcstas-users] Disk chopper angular definitions In-Reply-To: References: Message-ID: Dear Andrew, Thanks for raising the issue! I have had a closer look and also written a small test-instrument myself, see attached. This instrument contains a source that fully illuminates a chopper disk in the time-interval of [0 1]s, and with exposed parameters to set phase, delay, nu etc. I have the following findings: 1) Looking at the outputs, setting the default input-parameters it does in fact look like the order of rotation is left-handed rather than right-handed, see attached plot1.png, run with a 1Hz chopper 2) Putting phase to 90 degrees and parking the chopper there (nu=0), it further looks like the geometry as visualised using mcdisplay is opposite to what the resulting simulation output shows, see mcdisplay.png and plot2.png I will file a us a GitHub issue so that we remember to do something about this, likely the below solution as a number of existing instrument-models use the DiskChopper exactly as it looks today: 1) Fix the documentation so that it is clear that the default ?sign? of rotation is left-handed 2) Fix mcdisplay so that it reflects what the neutrons will ?see? at t=0 3) Potentially add a sign-parameter to choose the ?handedness? Best and thanks for reporting, Peter [cid:c797dbdc-e501-44d5-81ca-f5c579d3efff at win.dtu.dk] [cid:90b68f6b-918a-4e1d-be66-4257549c305f at win.dtu.dk] [cid:5f66804a-bc37-432f-aa15-8f259a2b5e85 at win.dtu.dk] > On 11 Jun 2021, at 04.35, Andrew Nelson wrote: > > Dear Markus, > thank you for the reply. Perhaps naively I would expect the trace to correspond to what happens with the actual simulation. > > I have done something along the lines you suggest, see end of email. The TOF monitor is shifted along the +ve x direction, which is to the right when looking from the detector to the source (it'd be roughly where the 'h' label is in fig 6.1) > > When nu is positive the TOF monitor has a pulse distribution whose offset is shifted to positive times. I think this means that the midpoint of the disk window has already crossed the y-axis before it gets to the monitor. This must mean that the direction of rotation is clockwise when looking along z from +ve to -ve. > > When nu is negative the TOF monitor has a pulse distribution whose offset is shifted to negative times. This must mean that the direction of rotation is anticlockwise when looking along z from +ve to -ve. > > Is this assessment correct? > > If so, then this is not what I expect from a right hand coordinate system. The direction of rotation from this concept experiment is the opposite of what's displayed in figure 6.1 of the component manual. > > > > > =============================================================== > DEFINE INSTRUMENT template_simple(Par1=1) > > DECLARE > %{ > %} > > INITIALIZE > %{ > %} > > TRACE > > COMPONENT origin = Progress_bar() > AT (0, 0, 0) RELATIVE ABSOLUTE > > // insert components here (e.g. Insert -> Source -> ...) > COMPONENT source_div = Source_div( > xwidth=0.02, > yheight=0.05, > focus_aw=1, > focus_ah=1, > lambda0=2.8, > dlambda=0.1) > AT (0, 0, 0) RELATIVE PREVIOUS > > COMPONENT diskchopper = DiskChopper( > theta_0=5, > yheight=0.1, > nu=24, > isfirst=1) > AT (0, 0, 0) RELATIVE PREVIOUS > > COMPONENT mon = TOF_monitor( > filename="mon", > xmin=0.005, > xmax=0.01, > ymin=-0.025, > ymax=0.025, > tmin=-500, > tmax=500, > restore_neutron=1) > AT (0, 0, 0) RELATIVE PREVIOUS > > FINALLY > %{ > %} > > END > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > https://mailman2.mcstas.org/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: plot1.png Type: image/png Size: 222961 bytes Desc: plot1.png URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: mcdisplay.png Type: image/png Size: 118250 bytes Desc: mcdisplay.png URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: plot2.png Type: image/png Size: 216653 bytes Desc: plot2.png URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: Choppertest.instr Type: application/octet-stream Size: 3517 bytes Desc: Choppertest.instr URL: From andyfaff at gmail.com Sat Jun 12 01:51:35 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Sat, 12 Jun 2021 09:51:35 +1000 Subject: [mcstas-users] Disk chopper angular definitions In-Reply-To: References: Message-ID: Thanks for the clarifications, good to know that I wasn't going crazy. The chopper axle is at the same height as the beam for the instrument I'm simulating (i.e. beam at 3 or 9 o'clock). I want to understand whether the direction of rotation makes a difference for an optically blind system; leading edge of second chopper lines up with trailing edge of main chopper, with T0 at the end of the main chopper. The direction of rotation could matter because of gravity. Hopefully previous simulations using DiskChopper were careful to check that their timing was correct. On Fri, 11 Jun 2021 at 21:45, Peter Kj?r Willendrup wrote: > Dear Andrew, > > > Thanks for raising the issue! > > I have had a closer look and also written a small test-instrument myself, > see attached. This instrument contains a source that fully illuminates a > chopper disk in the time-interval of [0 1]s, and with exposed parameters to > set phase, delay, nu etc. > > I have the following findings: > > 1) Looking at the outputs, setting the default input-parameters it does in > fact look like the order of rotation is left-handed rather than > right-handed, see attached plot1.png, run with a 1Hz chopper > > 2) Putting phase to 90 degrees and parking the chopper there (nu=0), it > further looks like the geometry as visualised using mcdisplay is opposite > to what the resulting simulation output shows, see mcdisplay.png and > plot2.png > > > > I will file a us a GitHub issue so that we remember to do something about > this, likely the below solution as a number of existing instrument-models > use the DiskChopper exactly as it looks today: > > 1) Fix the documentation so that it is clear that the default ?sign? of > rotation is left-handed > > 2) Fix mcdisplay so that it reflects what the neutrons will ?see? at t=0 > > 3) Potentially add a sign-parameter to choose the ?handedness? > > > Best and thanks for reporting, > Peter > > > > > > > > > > > On 11 Jun 2021, at 04.35, Andrew Nelson wrote: > > > > Dear Markus, > > thank you for the reply. Perhaps naively I would expect the trace to > correspond to what happens with the actual simulation. > > > > I have done something along the lines you suggest, see end of email. The > TOF monitor is shifted along the +ve x direction, which is to the right > when looking from the detector to the source (it'd be roughly where the 'h' > label is in fig 6.1) > > > > When nu is positive the TOF monitor has a pulse distribution whose > offset is shifted to positive times. I think this means that the midpoint > of the disk window has already crossed the y-axis before it gets to the > monitor. This must mean that the direction of rotation is clockwise when > looking along z from +ve to -ve. > > > > When nu is negative the TOF monitor has a pulse distribution whose > offset is shifted to negative times. This must mean that the direction of > rotation is anticlockwise when looking along z from +ve to -ve. > > > > Is this assessment correct? > > > > If so, then this is not what I expect from a right hand coordinate > system. The direction of rotation from this concept experiment is the > opposite of what's displayed in figure 6.1 of the component manual. > > > > > > > > > > =============================================================== > > DEFINE INSTRUMENT template_simple(Par1=1) > > > > DECLARE > > %{ > > %} > > > > INITIALIZE > > %{ > > %} > > > > TRACE > > > > COMPONENT origin = Progress_bar() > > AT (0, 0, 0) RELATIVE ABSOLUTE > > > > // insert components here (e.g. Insert -> Source -> ...) > > COMPONENT source_div = Source_div( > > xwidth=0.02, > > yheight=0.05, > > focus_aw=1, > > focus_ah=1, > > lambda0=2.8, > > dlambda=0.1) > > AT (0, 0, 0) RELATIVE PREVIOUS > > > > COMPONENT diskchopper = DiskChopper( > > theta_0=5, > > yheight=0.1, > > nu=24, > > isfirst=1) > > AT (0, 0, 0) RELATIVE PREVIOUS > > > > COMPONENT mon = TOF_monitor( > > filename="mon", > > xmin=0.005, > > xmax=0.01, > > ymin=-0.025, > > ymax=0.025, > > tmin=-500, > > tmax=500, > > restore_neutron=1) > > AT (0, 0, 0) RELATIVE PREVIOUS > > > > FINALLY > > %{ > > %} > > > > END > > _______________________________________________ > > mcstas-users mailing list > > mcstas-users at mcstas.org > > https://mailman2.mcstas.org/mailman/listinfo/mcstas-users > -------------- next part -------------- An HTML attachment was scrubbed... URL: From andyfaff at gmail.com Mon Jun 14 02:22:10 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Mon, 14 Jun 2021 10:22:10 +1000 Subject: [mcstas-users] Frame overlap mirror creation Message-ID: I am wondering about the best way to create the frame overlap mirror in McStas. The FOM I need to create consists of a non-tapered rectangular guide (m=0 on top, m=3 on the sides, m=1 on the bottom) of 500 mm in length, 20 mm high, 50 mm wide. There is then a mirror (Ni, m=1) running down the length of this guide, running from the bottom of the guide at the front (-z) to the top of the guide at the back (+z). I couldn't find a previous example to go off. Would it be suitable to create a normal rectangular guide component with the host characteristics, then have a subsequent inclined mirror component that coincides with the host guide? Or would this confuse things? How does one make composite optics components? -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Mon Jun 14 09:21:42 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Mon, 14 Jun 2021 07:21:42 +0000 Subject: [mcstas-users] Frame overlap mirror creation In-Reply-To: References: Message-ID: <98AE7540-6B4F-4BD2-895C-01F82BF681CC@fysik.dtu.dk> Hi Andrew, On 14 Jun 2021, at 02.22, Andrew Nelson > wrote: I am wondering about the best way to create the frame overlap mirror in McStas. The FOM I need to create consists of a non-tapered rectangular guide (m=0 on top, m=3 on the sides, m=1 on the bottom) of 500 mm in length, 20 mm high, 50 mm wide. There is then a mirror (Ni, m=1) running down the length of this guide, running from the bottom of the guide at the front (-z) to the top of the guide at the back (+z) I suggest taking a look at Pol_guide_mirror.comp which is intended for exactly this purpose. I admit it is a little confusing that the component is not named anything suggesting that it can be used like this. :) I will consider making a name-change or an ?alias? component to clear this up. I couldn't find a previous example to go off. Would it be suitable to create a normal rectangular guide component with the host characteristics, then have a subsequent inclined mirror component that coincides with the host guide? Or would this confuse things? How does one make composite optics components? The thing is, one does not really? :) There _are_ ways to do this with a set of independent mirrors and lots of logic / programming in the instrumentfile - but it gets long and complicated, writing a fresh component from scratch is probably easier. That being said, the Union subsystem could eventually become a vehicle to implement ?composite components? also for reflecting optics, but at the moment the focus in that code is on the physics of bulk material properties. Best and hope this helps, Peter Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics [cid:b6339554-7f28-441d-9f31-5944f811397c at win.dtu.dk] Technical University of Denmark [cid:e108e480-fcab-46e2-9531-b38165079572 at win.dtu.dk] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: image001.gif URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From andyfaff at gmail.com Mon Jun 14 10:04:06 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Mon, 14 Jun 2021 18:04:06 +1000 Subject: [mcstas-users] Frame overlap mirror creation In-Reply-To: <98AE7540-6B4F-4BD2-895C-01F82BF681CC@fysik.dtu.dk> References: <98AE7540-6B4F-4BD2-895C-01F82BF681CC@fysik.dtu.dk> Message-ID: I saw that component mentioned on the user list before, but Pol_guide_mirror isn't present at the component list at http://www.mcstas.org/download/components/. Whilst it is present as a McStas component, the GUI doesn't seem to display properly (attached) so I don't know how to set it up. On Mon, 14 Jun 2021 at 17:21, Peter Kj?r Willendrup wrote: > Hi Andrew, > > On 14 Jun 2021, at 02.22, Andrew Nelson wrote: > > I am wondering about the best way to create the frame overlap mirror in > McStas. The FOM I need to create consists of a non-tapered rectangular > guide (m=0 on top, m=3 on the sides, m=1 on the bottom) of 500 mm in > length, 20 mm high, 50 mm wide. There is then a mirror (Ni, m=1) running > down the length of this guide, running from the bottom of the guide at the > front (-z) to the top of the guide at the back (+z) > > > I suggest taking a look at Pol_guide_mirror.comp which is intended for > exactly this purpose. I admit it is a little confusing that the component > is not named anything suggesting that it can be used like this. :) > > I will consider making a name-change or an ?alias? component to clear this > up. > > I couldn't find a previous example to go off. Would it be suitable to > create a normal rectangular guide component with the host characteristics, > then have a subsequent inclined mirror component that coincides with the > host guide? Or would this confuse things? > > How does one make composite optics components? > > > The thing is, one does not really? :) > > There _are_ ways to do this with a set of independent mirrors and lots of > logic / programming in the instrumentfile - but it gets long and > complicated, writing a fresh component from scratch is probably easier. > > That being said, the Union subsystem could eventually become a vehicle to > implement ?composite components? also for reflecting optics, but at the > moment the focus in that code is on the physics of bulk material properties. > > > Best and hope this helps, > Peter > > Peter Kj?r Willendrup > Forskningsingeni?r, Specialkonsulent > N?stformand for DTU Fysik LSU > > DTU Physics > > > > > > Technical University of Denmark > > > > > > > Department of Physics > Fysikvej > Building 307 > DK-2800 Kongens Lyngby > Direct +45 2125 4612 > Mobil +45 2125 4612 > Fax +45 4593 2399 > pkwi at fysik.dtu.dk > > -- _____________________________________ Dr. Andrew Nelson _____________________________________ -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: Screen Shot 2021-06-14 at 6.02.25 pm.png Type: image/png Size: 301512 bytes Desc: not available URL: From andyfaff at gmail.com Mon Jun 14 10:11:30 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Mon, 14 Jun 2021 18:11:30 +1000 Subject: [mcstas-users] Frame overlap mirror creation In-Reply-To: References: <98AE7540-6B4F-4BD2-895C-01F82BF681CC@fysik.dtu.dk> Message-ID: The different GUI lines may have just become a bit clearer to me, but I'm still unsure how to set different m for top/bottom/left/right. On Mon, 14 Jun 2021 at 18:04, Andrew Nelson wrote: > I saw that component mentioned on the user list before, > but Pol_guide_mirror isn't present at the component list at > http://www.mcstas.org/download/components/. Whilst it is present as a > McStas component, the GUI doesn't seem to display properly (attached) so I > don't know how to set it up. > > > > On Mon, 14 Jun 2021 at 17:21, Peter Kj?r Willendrup > wrote: > >> Hi Andrew, >> >> On 14 Jun 2021, at 02.22, Andrew Nelson wrote: >> >> I am wondering about the best way to create the frame overlap mirror in >> McStas. The FOM I need to create consists of a non-tapered rectangular >> guide (m=0 on top, m=3 on the sides, m=1 on the bottom) of 500 mm in >> length, 20 mm high, 50 mm wide. There is then a mirror (Ni, m=1) running >> down the length of this guide, running from the bottom of the guide at the >> front (-z) to the top of the guide at the back (+z) >> >> >> I suggest taking a look at Pol_guide_mirror.comp which is intended for >> exactly this purpose. I admit it is a little confusing that the component >> is not named anything suggesting that it can be used like this. :) >> >> I will consider making a name-change or an ?alias? component to clear >> this up. >> >> I couldn't find a previous example to go off. Would it be suitable to >> create a normal rectangular guide component with the host characteristics, >> then have a subsequent inclined mirror component that coincides with the >> host guide? Or would this confuse things? >> >> How does one make composite optics components? >> >> >> The thing is, one does not really? :) >> >> There _are_ ways to do this with a set of independent mirrors and lots of >> logic / programming in the instrumentfile - but it gets long and >> complicated, writing a fresh component from scratch is probably easier. >> >> That being said, the Union subsystem could eventually become a vehicle to >> implement ?composite components? also for reflecting optics, but at the >> moment the focus in that code is on the physics of bulk material properties. >> >> >> Best and hope this helps, >> Peter >> >> Peter Kj?r Willendrup >> Forskningsingeni?r, Specialkonsulent >> N?stformand for DTU Fysik LSU >> >> DTU Physics >> >> >> >> >> >> Technical University of Denmark >> >> >> >> >> >> >> Department of Physics >> Fysikvej >> Building 307 >> DK-2800 Kongens Lyngby >> Direct +45 2125 4612 >> Mobil +45 2125 4612 >> Fax +45 4593 2399 >> pkwi at fysik.dtu.dk >> >> > > -- > _____________________________________ > Dr. Andrew Nelson > > > _____________________________________ > -- _____________________________________ Dr. Andrew Nelson _____________________________________ -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.gif Type: image/gif Size: 58 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: not available URL: From pkwi at fysik.dtu.dk Mon Jun 14 10:18:20 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Mon, 14 Jun 2021 08:18:20 +0000 Subject: [mcstas-users] Frame overlap mirror creation In-Reply-To: References: <98AE7540-6B4F-4BD2-895C-01F82BF681CC@fysik.dtu.dk> Message-ID: <779D5F96-F188-4712-96B0-B921F448EDA2@fysik.dtu.dk> Hi Andrew, On 14 Jun 2021, at 10.04, Andrew Nelson > wrote: I saw that component mentioned on the user list before, but Pol_guide_mirror isn't present at the component list at http://www.mcstas.org/download/components/. Whilst it is present as a McStas component, the GUI doesn't seem to display properly (attached) so I don't know how to set it up. Since it is not on the website is must be missing from the McStas 3 distribution, sorry about this. I take it you are running a 2.x since it in fact exists on your system? The Python mcdoc utility is a little picky wrt formatting of the documentation strings, you can try to run mcdoc.pl Pol_guide_mirror (or mcdoc-pl Pol_guide_mirror on windows) In a terminal and see if this gives any more information? Otherwise simply have a look at the top of the actual comp file, sits in your MCSTAS/optics folder :) Best, Peter On Mon, 14 Jun 2021 at 17:21, Peter Kj?r Willendrup > wrote: Hi Andrew, On 14 Jun 2021, at 02.22, Andrew Nelson > wrote: I am wondering about the best way to create the frame overlap mirror in McStas. The FOM I need to create consists of a non-tapered rectangular guide (m=0 on top, m=3 on the sides, m=1 on the bottom) of 500 mm in length, 20 mm high, 50 mm wide. There is then a mirror (Ni, m=1) running down the length of this guide, running from the bottom of the guide at the front (-z) to the top of the guide at the back (+z) I suggest taking a look at Pol_guide_mirror.comp which is intended for exactly this purpose. I admit it is a little confusing that the component is not named anything suggesting that it can be used like this. :) I will consider making a name-change or an ?alias? component to clear this up. I couldn't find a previous example to go off. Would it be suitable to create a normal rectangular guide component with the host characteristics, then have a subsequent inclined mirror component that coincides with the host guide? Or would this confuse things? How does one make composite optics components? The thing is, one does not really? :) There _are_ ways to do this with a set of independent mirrors and lots of logic / programming in the instrumentfile - but it gets long and complicated, writing a fresh component from scratch is probably easier. That being said, the Union subsystem could eventually become a vehicle to implement ?composite components? also for reflecting optics, but at the moment the focus in that code is on the physics of bulk material properties. Best and hope this helps, Peter Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent N?stformand for DTU Fysik LSU DTU Physics Technical University of Denmark Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Direct +45 2125 4612 Mobil +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk -- _____________________________________ Dr. Andrew Nelson _____________________________________ _______________________________________________ mcstas-users mailing list mcstas-users at mcstas.org https://mailman2.mcstas.org/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... URL: From andyfaff at gmail.com Tue Jun 22 02:43:51 2021 From: andyfaff at gmail.com (Andrew Nelson) Date: Tue, 22 Jun 2021 10:43:51 +1000 Subject: [mcstas-users] Clarification on coordinate systems Message-ID: Could I get a quick clarification on coordinate systems in McStas? I'm now familiar with the cartesian axis setup, but I want to confirm the meaning of "left" and "right". The `Guide_gravity` component can specify different m coatings for left and right, but I want to know which left and right they refer to: looking in the beam propagation direction, or the other way around? I'm guessing the former, but it's not clear from the component documentation. Andrew. -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Tue Jun 22 10:24:09 2021 From: pkwi at fysik.dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Tue, 22 Jun 2021 08:24:09 +0000 Subject: [mcstas-users] Clarification on coordinate systems In-Reply-To: References: Message-ID: <20151B28-FDF5-4A62-9A49-EBFBD15B0185@fysik.dtu.dk> Hi Andrew, I am sure your speculation is right; natural left/right references should be with respect to the neutron travel direction. That being said we have no official ?standard? in this respect, but it would make sense to extend our NOMENCLATURE document in this direction. https://github.com/McStasMcXtrace/McCode/blob/master/mcstas-comps/NOMENCLATURE.md Best, Peter On 22 Jun 2021, at 02.43, Andrew Nelson > wrote: Could I get a quick clarification on coordinate systems in McStas? I'm now familiar with the cartesian axis setup, but I want to confirm the meaning of "left" and "right". The `Guide_gravity` component can specify different m coatings for left and right, but I want to know which left and right they refer to: looking in the beam propagation direction, or the other way around? I'm guessing the former, but it's not clear from the component documentation. Andrew. _______________________________________________ mcstas-users mailing list mcstas-users at mcstas.org https://mailman2.mcstas.org/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... URL: From wagnerrichard at ill.fr Tue Jun 29 18:31:40 2021 From: wagnerrichard at ill.fr (Richard Wagner) Date: Tue, 29 Jun 2021 18:31:40 +0200 Subject: [mcstas-users] McStas simulation of nested elliptical optic with many levels crashes Message-ID: <14155218-e50e-18c9-573b-24627cb38e85@ill.fr> Dear McStas experts, We are currently doing simulations with nested elliptical optics and so far things ran quiet smoothly. We generate the OFF file for the optic ourselves and use the Guide_anyshape component. We start with an outer layer and continue to add inner layers one at a time. If we then get to optical components that have a high number of levels we run into the problem, that McStas crashes resp. aborts the simulation. Output in that case reads: # McStas 2.7 - Nov. 27, 2020: [pid 64818] Signal 11 detected SIGSEGV (Mem Error) # Simulation: NNb (NNb.instr) # Breakpoint: psd_monitor (Trace) 2.46 % (?? 24574.0/ 1000000.0) # Date:????? Tue Jun 29 17:44:13 2021 # Started:?? Tue Jun 29 17:44:13 2021 # Last I/O Error: No such file or directory # McStas 2.7 - Nov. 27, 2020: Simulation stop (abort). Or # McStas 2.7 - Nov. 27, 2020: [pid 66573] Signal 10 detected [proc 0] SIGBUS (Bus error) # Simulation: NNb (NNb.instr) # Breakpoint: nested (Trace) 85.56 % (? 855555.0/ 1000000.0) # Date:????? Tue Jun 29 18:00:32 2021 # Started:?? Tue Jun 29 18:00:28 2021 # Last I/O Error: No such file or directory There are many messages such as the following in the Mcstas Window, too: Guide_anyshape: nested: Warning: Reflectivity R=7.02318 > 1 lowered to R=1. Guide_anyshape: nested: Warning: Reflectivity R=7.02365 > 1 lowered to R=1. Guide_anyshape: nested: Warning: Reflectivity R=7.02412 > 1 lowered to R=1. Guide_anyshape: nested: Warning: Reflectivity R=7.0246 > 1 lowered to R=1. I put an example of an instrument file (+OFF , +Source Component) of a failed run for a 1m optic in the attachment. The trace run for instrument visualization works. We only run into the problem for short optics <=2 m, were a high number of nested levels is needed to completely cover the cross section. We run into the problem on Ubuntu 18.04 and MacOs Big Sur machines. Any ideas what's the problem? Are the spacing of the elliptical getting to narrow, perhaps? Thanks in advance, Richard -- *Richard Wagner* Research Engineer Nuclear and Particle Physics Group Institut Laue-Langevin - ILL 71, avenue des Martyrs CS 20156 38042 Grenoble Cedex 9 France www.ill.eu -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: Screenshot 2021-06-29 at 18.12.27.png Type: image/png Size: 117824 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: Screenshot 2021-06-29 at 18.06.55.png Type: image/png Size: 338006 bytes Desc: not available URL: -------------- next part -------------- /******************************************************************************* * * McStas, neutron ray-tracing package * Copyright 1997-2002, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * Component: LD2_ESS * * %I * Written by: Matthew Frost * Date: Sept 23, 2019 * Origin:The University of Tennessee-Knoxville * * A neutron source that provides events reflecting the phase space provided a by a * source seen in Klinkby 2014 (https://arxiv.org/abs/1401.6003), then traced * through the inner monolith shielding at ESS. All intensity originates at z=2.68 meters * * There are no parameters, as the phase space cannot be altered and the intensity is fixed. */ DEFINE COMPONENT LD2_ESS DEFINITION PARAMETERS () SETTING PARAMETERS () OUTPUT PARAMETERS () /* Neutron parameters: (x,y,z,vx,vy,vz,t,sx,sy,sz,p) */ DECLARE %{ double pmul, srcArea; int square; double rn,p_in,dv; double v_dist[41][2] = { //Bin-normalized velocity distribution from original event output { +0.00000000e+00, +0.00000000e+00}, { +1.00000000e+02, +2.50614979e-02}, { +2.00000000e+02, +1.48812038e-01}, { +3.00000000e+02, +4.06283768e-01}, { +4.00000000e+02, +7.75966323e-01}, { +5.00000000e+02, +1.27518496e+00}, { +6.00000000e+02, +1.52600306e+00}, { +7.00000000e+02, +1.69156961e+00}, { +8.00000000e+02, +1.90407912e+00}, { +9.00000000e+02, +1.98775943e+00}, { +1.00000000e+03, +2.01200256e+00}, { +1.10000000e+03, +1.90006687e+00}, { +1.20000000e+03, +1.85266235e+00}, { +1.30000000e+03, +1.71530858e+00}, { +1.40000000e+03, +1.68416473e+00}, { +1.50000000e+03, +1.51967239e+00}, { +1.60000000e+03, +1.43081691e+00}, { +1.70000000e+03, +1.33476925e+00}, { +1.80000000e+03, +1.31846256e+00}, { +1.90000000e+03, +1.24733020e+00}, { +2.00000000e+03, +1.22382339e+00}, { +2.10000000e+03, +1.16483602e+00}, { +2.20000000e+03, +1.11414123e+00}, { +2.30000000e+03, +1.08501019e+00}, { +2.40000000e+03, +1.05723081e+00}, { +2.50000000e+03, +1.02192225e+00}, { +2.60000000e+03, +9.43035359e-01}, { +2.70000000e+03, +9.35017351e-01}, { +2.80000000e+03, +8.47482268e-01}, { +2.90000000e+03, +7.78730450e-01}, { +3.00000000e+03, +7.37994929e-01}, { +3.10000000e+03, +6.52325390e-01}, { +3.20000000e+03, +6.05620013e-01}, { +3.30000000e+03, +5.40267450e-01}, { +3.40000000e+03, +4.93186909e-01}, { +3.50000000e+03, +4.45730563e-01}, { +3.60000000e+03, +4.02213140e-01}, { +3.70000000e+03, +3.59298790e-01}, { +3.80000000e+03, +3.08920642e-01}, { +3.90000000e+03, +2.83930213e-01}, { +4.00000000e+03, +2.43306423e-01}, }; %} INITIALIZE %{ p_in=8.25311333051e14/(mcget_ncount()); //Neutron Intensity (n/s) at 5MW operation dv = v_dist[1][0]-v_dist[0][0]; %} TRACE %{ double v; int bin; double weighter,ysloper; t=0; z=2.68; x = 0.8 * (rand01() - 0.5); y = 0.6 * (rand01() - 0.5)-0.1; p = p_in; v = rand01(); v*= v_dist[40][0]-v_dist[0][0]; bin = (int) v/dv; ysloper = v_dist[bin][1]; weighter = (v_dist[bin+1][1]-ysloper)/dv*(v-v_dist[bin][0])+ysloper; p*=weighter; rn = (rand01()-0.5)*0.08; vy= (rn+0.40407893*y+0.10528407)*v; //Vertical Phase Space Correlation rn = (rand01()-0.5)*0.09; vx = (rn+0.39032*x+0.000339573)*v; //Horizontal Phase Space Correlation vz=v*v-vx*vx-vy*vy; if (vz<0) vz=0; else vz = sqrt(vz); %} MCDISPLAY %{ %} END -------------- next part -------------- /******************************************************************************** * * McStas, neutron ray-tracing package * Copyright (C) 1997-2008, All rights reserved * Risoe National Laboratory, Roskilde, Denmark * Institut Laue Langevin, Grenoble, France * * This file was written by McStasScript, which is a * python based McStas instrument generator written by * Mads Bertelsen in 2019 while employed at the * European Spallation Source Data Management and * Software Center * * Instrument NNb * * %Identification * Written by: Python McStas Instrument Generator * Date: 16:57:51 on June 29, 2021 * Origin: ESS DMSC * %INSTRUMENT_SITE: Generated_instruments * * * %Parameters * * %End ********************************************************************************/ DEFINE INSTRUMENT NNb ( ) DECLARE %{ %} INITIALIZE %{ // Start of initialize for generated NNb %} TRACE COMPONENT source = LD2_ESS() AT (0,0,0) ABSOLUTE COMPONENT lbp = Guide_anyshape( geometry = "lbp_meters.off", m = 0) AT (0,0,0) RELATIVE source EXTEND %{ if (SCATTERED) {t = 0.0;}; %} COMPONENT nested = Guide_anyshape( geometry = "Nested_Mirror_OFF_File/nested_mirror_l1m_L200m_zS17m_b3.4899286330562784m_ohW2m_nbS2_nbL50_bBTrue_bMsTrue-0.0001_cutAtoW.off", m = 6) % R0 = 0.99, % Qc = 0.0219, m = 6) AT (0,-0.28,17) RELATIVE source EXTEND %{ if (SCATTERED) {t = 0.0;}; %} COMPONENT end_detectors = Arm() AT (0,-0.28,200) RELATIVE source COMPONENT end_event = Monitor_nD( xwidth = 10, yheight = 10, restore_neutron = 1, options = "list all auto, x y z vx vy vz t", filename = "events.dat") AT (0,0,0) RELATIVE end_detectors COMPONENT psd_monitor = PSD_monitor( nx = 1000, ny = 1000, filename = "image_detector.dat", xwidth = 10, yheight = 10, restore_neutron = 1) AT (0,0,0) RELATIVE previous FINALLY %{ // Start of finally for generated NNb %} END -------------- next part -------------- OFF 1208 404 0 2.000000000 -2.000000000 0.000000000 2.000000000 -2.000000000 1.000000000 -2.000000000 -2.000000000 1.000000000 -2.000000000 -2.000000000 0.000000000 2.000000000 2.000000000 0.000000000 2.000000000 2.000000000 1.000000000 -2.000000000 2.000000000 1.000000000 -2.000000000 2.000000000 0.000000000 1.949174450 -2.000000000 0.000000000 1.949174450 2.000000000 0.000000000 -1.949174450 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