From pkwi at fysik.dtu.dk Fri Oct 25 13:49:48 2013 From: pkwi at fysik.dtu.dk (=?Windows-1252?Q?Peter_Kj=E6r_Willendrup?=) Date: Fri, 25 Oct 2013 11:49:48 +0000 Subject: [mcstas-users] Help for McStas 2.0 on Debian testing/Linux Mint Debian, OS X 10.9 Maverics and OS X 10.6 Snow Leopard. Reminder of updated ESS source. Message-ID: Dear all, Today we are providing installation and patching help for McStas 2.0 on certain platforms, where there are specific issues we have recently become aware of. Three scripts/packages are provided on our "download share" at http://mcstas.org/download/share/ ? Extra packages and an installation script for Debian testing / Linux Mint Debian Edition: See http://mcstas.org/download/share/mcstas-2.0-Debian-Testing-Extra.tgz.html ? Instructions and a patch script for the recently released Mac OS X 10.9 Maverics: See http://mcstas.org/download/share/mcstas-2.0-Maverics.command.html ? Instructions and a patch script for the soon obsolete Mac OS X 10.6 Snow Leopard: See http://mcstas.org/download/share/mcstas-2.0-SnowLeopard.command.html Further, we will soon release a set of beta packages of the forthcoming McStas 2.1 release, available for all platforms. Please note also that an updated version of the ESS source was released in May, also via the http://mcstas.org/download/share . While that source will also be further improved, it still has fewer issues than the version included in McStas 2.0. Best, Peter Peter Kj?r Willendrup Senior Research Engineer, Special Advisor DTU Physics Technical University of Denmark [cid:image002.gif at 01CCCAF1.5E6331F0][cid:EC2A3CAB-AF57-4CEB-96B0-23F6DC35FE76 at fysik.dtu.dk] Department of Physics Neutrons and X-rays for Materials 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: -------------- next part -------------- A non-text attachment was scrubbed... Name: nexmap.jpg Type: image/jpeg Size: 10708 bytes Desc: nexmap.jpg URL: From wokaoyan1981 at 126.com Mon Oct 28 09:09:23 2013 From: wokaoyan1981 at 126.com (=?UTF-8?B?6ZmI5b2m6Iif?=) Date: Mon, 28 Oct 2013 16:09:23 +0800 (CST) Subject: [mcstas-users] Optimization of alpha-Fe thickness Message-ID: <1b83f113.bb98.141fe1c354b.Coremail.wokaoyan1981@126.com> Hello all, The thickness of plate-shaped sample ?-Fe on Residual Stress Neutron Diffractometer has been optimized by McStas. According to the result, best thickness corresponding to the maximal intensity is around 9mm. see picture 1 and models pdc1 and pdc2 in enclosure. However, the theoritical optimized thickness calculated from the following formula is around 46mm which is 5 times as large as the simulated one. Topt=1/?a=1/N?a=V/n?a Topt:Optimized thickness ?a:macroscopic absorption cross section N:Atomic number density ?a: micro absorption cross section n:number of atoms per unit cell V: Volume of each unit cell As for ?-Fe, V=23.55?3, n=2, ?a=2.56 barn Then Topt=46mm Will anybody please explain the difference between two results? Best wishes, Tom -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: picture1.png Type: image/png Size: 12232 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: picture1.png Type: image/png Size: 12232 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: pdc2.instr Type: application/octet-stream Size: 2991 bytes Desc: not available URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: pdc1.instr Type: application/octet-stream Size: 3210 bytes Desc: not available URL: From p at willendrup.org Mon Oct 28 10:34:50 2013 From: p at willendrup.org (Peter Willendrup) Date: Mon, 28 Oct 2013 10:34:50 +0100 Subject: [mcstas-users] Optimization of alpha-Fe thickness In-Reply-To: <1b83f113.bb98.141fe1c354b.Coremail.wokaoyan1981@126.com> References: <1b83f113.bb98.141fe1c354b.Coremail.wokaoyan1981@126.com> Message-ID: Hi Tom, It could well be that the Fe.laz provided with McStas has too high F2 values and hence produces too much scattering. Via the attached .CIF from the ICSD database (from the publication Physical Review (1,1893-132,1963/141,1966-188,1969) (1917) 10, p661-p696), I have generated a .lau file through Crystallographica, also attached. Running a quick simulation with the McStas 2.0 PSI_DMC instrument and this .lau (remember to adjust the BARNS flag accordingly) yields lower scattering than what the Fe.laz from the McStas 2.0 distribution, see attachments. Could this be the cause of your reported issue? Best, Peter On 28 Oct 2013, at 09:09 , ??? wrote: > Hello all, > The thickness of plate-shaped sample ?-Fe on Residual Stress Neutron Diffractometer has been optimized by McStas. According to the result, best thickness corresponding to the maximal intensity is around 9mm. see picture 1 and models pdc1 and pdc2 in enclosure. > > However, the theoritical optimized thickness calculated from the following formula is around 46mm which is 5 times as large as the simulated one. > Topt=1/?a=1/N?a=V/n?a > Topt: Optimized thickness > ?a:macroscopic absorption cross section > N:Atomic number density > ?a: micro absorption cross section > n:number of atoms per unit cell > V: Volume of each unit cell > As for ?-Fe, V=23.55?3, n=2, ?a=2.56 barn > Then Topt=46mm > Will anybody please explain the difference between two results? > > Best wishes, > Tom > > > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... 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Name: PSI_DMC_detector_dat_ICSD.png Type: image/png Size: 127329 bytes Desc: not available URL: -------------- next part -------------- An HTML attachment was scrubbed... URL: From farhi at ill.fr Mon Oct 28 10:45:08 2013 From: farhi at ill.fr (farhi) Date: Mon, 28 Oct 2013 10:45:08 +0100 Subject: [mcstas-users] Optimization of alpha-Fe thickness In-Reply-To: References: <1b83f113.bb98.141fe1c354b.Coremail.wokaoyan1981@126.com> Message-ID: <3eea74d8113fa977bdfe9426526699b8@ill.fr> Hi, it could also be that the quick estimate (46mm) only takes into account the absoption. In reality, scattering also counts, and it highly depends on the incoming wavelength (Bragg edges). So the actual optimal thickness can only be smaller than 46mm. The best would be that you measure the scattered intensity on your instrument, with a set of iron plates. Please tell us back what it gives. Emmanuel. Le 2013-10-28 10:34, Peter Willendrup a ?crit : > Hi Tom, > > It could well be that the Fe.laz provided with McStas has too high F2 values and hence produces too much scattering. > > Via the attached .CIF from the ICSD database (from the publication Physical Review (1,1893-132,1963/141,1966-188,1969) (1917) 10, p661-p696), I have generated a .lau file through Crystallographica, also attached. > > Running a quick simulation with the McStas 2.0 PSI_DMC instrument and this .lau (remember to adjust the BARNS flag accordingly) yields lower scattering than what the Fe.laz from the McStas 2.0 distribution, see attachments. > > Could this be the cause of your reported issue? > > Best, > > Peter > > On 28 Oct 2013, at 09:09 , ??? wrote: > >> Hello all, >> The thickness of plate-shaped sample ?-Fe on Residual Stress Neutron Diffractometer has been optimized by McStas. According to the result, best thickness corresponding to the maximal intensity is around 9mm. see picture 1 and models pdc1 and pdc2 in enclosure. >> >> >> However, the theoritical optimized thickness calculated from the following formula is around 46mm which is 5 times as large as the simulated one. >> Topt=1/?a=1/N?a=V/n?a >> Topt:Optimized thickness >> ?a:macroscopic absorption cross section >> N:Atomic number density >> ?a: micro absorption cross section >> n:number of atoms per unit cell >> V: Volume of each unit cell >> As for ?-Fe, V=23.55?3, n=2, ?a=2.56 barn >> Then Topt=46mm >> Will anybody please explain the difference between two results? >> >> Best wishes, >> Tom >> >> _______________________________________________ >> mcstas-users mailing list >> mcstas-users at mcstas.org >> http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users > > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users [1] -- FARHI Emmanuel Groupe DS/CS, ILL4/156, Tel (33) 4 76 20 71 35 ILL, Grenoble Links: ------ [1] http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... URL: From Marc.Seifert at frm2.tum.de Mon Nov 4 10:59:34 2013 From: Marc.Seifert at frm2.tum.de (Marc.Seifert at frm2.tum.de) Date: Mon, 4 Nov 2013 10:59:34 +0100 (CET) Subject: [mcstas-users] Using Monitor_nD + Multicore Message-ID: <5cb82489fbf3f590c04280a3583cd301.squirrel@www.frm2.tum.de> Hi all, I am trying to implement a monitor_nD representing a TOF-Lambda monitor using the additional 'list all' option. COMPONENT TOF_Lambda_512_nd = Monitor_nD( xwidth = 0.5, yheight = 0.5, zthick = 0, options="time bins=512 limits=[0 2.3e-1], lambda bins=512 limits=[0 12], list all", filename="TOF_Lambda_512_nd") AT (0, 0, pos_detector) RELATIVE origin Unfortunately, this works only on one or two cores. When I try to simulate it on more cores via SSH, the merging process seems to fail and I get only the log-files back. When I don't use the 'list all' option everything works fine. Does anybody has an idea how I could solve this? Thanks, Marc From 104pet104 at gmail.com Mon Nov 4 20:15:23 2013 From: 104pet104 at gmail.com (=?KOI8-R?B?8MXU0iDrz87Jyw==?=) Date: Mon, 4 Nov 2013 23:15:23 +0400 Subject: [mcstas-users] GPGPU Message-ID: Hello everybody! I wanted to ask if we could use somehow this technology http://en.wikipedia.org/wiki/General-purpose_computing_on_graphics_processing_units for parallelisation of our computations? Best regards, Peter -------------- next part -------------- An HTML attachment was scrubbed... URL: From farhi at ill.fr Mon Nov 4 20:56:37 2013 From: farhi at ill.fr (farhi) Date: Mon, 04 Nov 2013 20:56:37 +0100 Subject: [mcstas-users] =?utf-8?q?Using_Monitor=5FnD_+_Multicore?= In-Reply-To: <5cb82489fbf3f590c04280a3583cd301.squirrel@www.frm2.tum.de> References: <5cb82489fbf3f590c04280a3583cd301.squirrel@www.frm2.tum.de> Message-ID: <2f91dd856266c367235266282ed3f724@ill.fr> Hi Mark, the merging of data files after SSH grid is done through the 'mcformat' tool. This latter works on text files for e.g. histograms. For lists, you should catenate the event files one after the other if mcformat fails. However, I'd be interested to get your log file, and the associated instrument file if possible. I tend to prefer MPI on multi-core machine/cluster, than the SSH mechanism, so it's a long time since I used it, I must admit. Cheers, Emmanuel. Le 2013-11-04 10:59, Marc.Seifert at frm2.tum.de a ?crit : > Hi all, > > I am trying to implement a monitor_nD representing a TOF-Lambda monitor > using the additional 'list all' option. > > COMPONENT TOF_Lambda_512_nd = Monitor_nD( > xwidth = 0.5, yheight = 0.5, zthick = 0, > options="time bins=512 limits=[0 2.3e-1], lambda bins=512 limits=[0 > 12], list all", > filename="TOF_Lambda_512_nd") > AT (0, 0, pos_detector) RELATIVE origin > > Unfortunately, this works only on one or two cores. When I try to simulate > it on more cores via SSH, the merging process seems to fail and I get only > the log-files back. When I don't use the 'list all' option everything > works fine. > > Does anybody has an idea how I could solve this? > > Thanks, > > Marc > > _______________________________________________ > mcstas-users mailing list > mcstas-users at mcstas.org > http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users [1] -- FARHI Emmanuel Groupe DS/CS, ILL4/156, Tel (33) 4 76 20 71 35 ILL, Grenoble Links: ------ [1] http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Fri Dec 20 15:07:52 2013 From: pkwi at fysik.dtu.dk (=?Windows-1252?Q?Peter_Kj=E6r_Willendrup?=) Date: Fri, 20 Dec 2013 14:07:52 +0000 Subject: [mcstas-users] Merry Christmas, Happy New Year, McStas 2.1 under way Message-ID: Hi all, First of all a merry Christmas and a Happy New Year to all McStas users! The McStas team had hoped to have a new release ready before the Christmas break, but a few important things are still missing. We now aim for release of McStas 2.1 in January 2014, with these important additions: 1. Updated ESS source module with implementation of the proposed ?pancake? design (which is currently under evaluation as an option for ESS) 2. Easier-to-install packages for Mac OS X and Windows systems 3. An overhauled user manual and a revised component manual 4. New contributed components and instruments ? Please send your potential contributions soon! 5. Final dismissal of the use of STATE and POLARISATION parameters 6. Revised implementation of the output routines with functional NeXus event-list support 7. Patched MPI event list implementation (2.0 and earlier releases would hang in case of an empty single-node event list) 8. Auto-generation of Mantid IDF xml files via Perl mcdisplay All the best on behalf of the McStas team, Peter Willendrup Peter Kj?r Willendrup Senior Research Engineer, Special Advisor DTU Physics NEXMAP Technical University of Denmark [Description: http://www.dtu.dk/images/DTU_email_logo_01.gif] Department of Physics Fysikvej Building 311 2800 Kgs. Lyngby Direct +45 2125 4612 Mobile +45 2125 4612 Fax +45 4593 2399 pkwi at fysik.dtu.dk www.fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: 4FC148F5-D64C-4547-B690-8348EC15A47E[9].png Type: image/png Size: 1905 bytes Desc: 4FC148F5-D64C-4547-B690-8348EC15A47E[9].png URL: