From farhi at ill.eu Wed Jan 11 13:40:21 2012 From: farhi at ill.eu (Emmanuel FARHI) Date: Wed, 11 Jan 2012 13:40:21 +0100 Subject: [mcstas-users] =?windows-1252?q?MDANSE_March_2012_=96__school=3A_?= =?windows-1252?q?Molecular_Dynamics_to_Analyse_Neutron_Scattering_Ex_=3D?= =?windows-1252?q?=3Fwin_dows-1252=3FQ=3Fperiments=3F=3D?= Message-ID: <4F0D8335.4080303@ill.eu> An HTML attachment was scrubbed... URL: From Jean-Francois.Moulin at hzg.de Thu Jan 19 15:49:10 2012 From: Jean-Francois.Moulin at hzg.de (Jean-Francois.Moulin at hzg.de) Date: Thu, 19 Jan 2012 15:49:10 +0100 Subject: [mcstas-users] install problem MPICH Message-ID: Hi ! I am having trouble with the installation under Linux Mint12 (a variant of Ubuntu 11.04). I installed from deb file and mcgui was not showing the parameters of a simulation which was previously working. I tried the source and could not run because of MPI problems. I checked the configure output: seems it does not find mpi.h I had mpich1 installed including the dev components. Then installed mpich2 (+dev) to no avail. Any Idea? I also do not have pearl-pdl installed but I saw that it depends on mpich1... so I would install it after fixing the mpich problem. Is there anything I should take care of there? Thanks a lot for your help Best JF - Helmholtz Zentrum Geesthacht Institut f?r Werkstoffforschung Abteilung WPN, Instrument REFSANS Lichtenbergstr. 1 85747 Garching FRM II Tel.: +49 (0)89 289 10762 Internet: http://www.frm2.tum.de Helmholtz-Zentrum Geesthacht Zentrum f?r Material- und K?stenforschung GmbH Max-Planck-Stra?e 1 I 21502 Geesthacht I Deutschland/Germany Gesch?ftsf?hrer/Board of Management: Prof. Dr. Wolfgang Kaysser, Dipl.-Ing. Michael Gan? Vorsitzender des Aufsichtsrates/Chairman of the Supervisory Board: MinDirig, Wilfried Kraus Amtsgericht L?beck HRB 285 GE (Register Court) Internet: http://www.hzg.de -------------- next part -------------- An HTML attachment was scrubbed... URL: From robert.dalgliesh at stfc.ac.uk Thu Jan 19 15:53:40 2012 From: robert.dalgliesh at stfc.ac.uk (robert.dalgliesh at stfc.ac.uk) Date: Thu, 19 Jan 2012 14:53:40 +0000 Subject: [mcstas-users] install problem MPICH In-Reply-To: References: Message-ID: <9FD256ED3764AA40BD335311A4123FA002BD43F3@EXCHMBX03.fed.cclrc.ac.uk> I haven?t managed to look at this yet but Peter suggested this when I asked a similar question in October last year for Ubuntu 10.10 onwards Hi Rob, Since you are trying to use mpd I guess that you have MPICH installed for parallelization? My suggestion would be to install openmpi instead: apt-get install openmpi openmpi-devel - and configure McStas to use that (mcstas_config.perl in /usr/local/lib/mcstas/tools/perl - put the relevant path to the mpirun and mpicc from the openmpi package). Openmpi uses an other transport mechanism that is not dependent on running an mpd process. Hope this helps, Peter -- ------------------------------------------------------------------- Peter Willendrup - Development engineer Ris? DTU, Materials Research Division Frederiksborgvej 399 DK-4000 Roskilde Tlf.: (+45) 4677 5862 Mobil.: (+45) 2125 4612 Fax.: (+45) 4766 5758 Email: pkwi at risoe.dtu.dk ------------------------------------------------------------------- From: mcstas-users-bounces at mcstas.org [mailto:mcstas-users-bounces at mcstas.org] On Behalf Of Jean-Francois.Moulin at hzg.de Sent: 19 January 2012 14:49 To: mcstas-users at mcstas.org Subject: [mcstas-users] install problem MPICH Hi ! I am having trouble with the installation under Linux Mint12 (a variant of Ubuntu 11.04). I installed from deb file and mcgui was not showing the parameters of a simulation which was previously working. I tried the source and could not run because of MPI problems. I checked the configure output: seems it does not find mpi.h I had mpich1 installed including the dev components. Then installed mpich2 (+dev) to no avail. Any Idea? I also do not have pearl-pdl installed but I saw that it depends on mpich1... so I would install it after fixing the mpich problem. Is there anything I should take care of there? Thanks a lot for your help Best JF - Helmholtz Zentrum Geesthacht Institut f?r Werkstoffforschung Abteilung WPN, Instrument REFSANS Lichtenbergstr. 1 85747 Garching FRM II Tel.: +49 (0)89 289 10762 Internet: http://www.frm2.tum.de ________________________________ Helmholtz-Zentrum Geesthacht Zentrum f?r Material- und K?stenforschung GmbH Max-Planck-Stra?e 1 I 21502 Geesthacht I Deutschland/Germany Gesch?ftsf?hrer/Board of Management: Prof. Dr. Wolfgang Kaysser, Dipl.-Ing. Michael Gan? Vorsitzender des Aufsichtsrates/Chairman of the Supervisory Board: MinDirig, Wilfried Kraus Amtsgericht L?beck HRB 285 GE (Register Court) Internet: http://www.hzg.de ________________________________ -------------- next part -------------- An HTML attachment was scrubbed... URL: From bordallo at nbi.ku.dk Fri Jan 20 17:19:35 2012 From: bordallo at nbi.ku.dk (Heloisa N. Bordallo) Date: Fri, 20 Jan 2012 17:19:35 +0100 Subject: [mcstas-users] Using Virtual_output Component Message-ID: <4F199417.5060208@nbi.ku.dk> Dear McStas experts, I have optimized my chopper and guide system, and now I am trying to use the |Virtual_output| Component. However I can only use a neutron count of 100000000 to perform my simulation in this way, if I try to send more I get the message : Job exited abnormally. Doe it happen because the file I am trying to create is just huge? Then, what is the best way to use such a component? At the moment I have it as: COMPONENT fichier_sortie = Virtual_output( file = "exit_guide_result.dat", type = "double") AT (0, 0, 1e-4) RELATIVE PREVIOUS Also how can I be sure I get the right intensity distribution? By the way I am using the SNS_source.component as input, and I would like to preserve the ToF-lambda distribution, once using the file = "exit_guide_result.dat" as input file for the |Virtual_input| Component. Many thanks Heloisa -- Heloisa N. Bordallo Associate Professor (Lektor) Niels Bohr Institute (H.C. ?rsted Institute, bldg. D) University of Copenhagen Universitetsparken 5 2100 Copenhagen Denmark Phone: +45 213 088 29 bordallo at nbi.ku.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: From pkwi at fysik.dtu.dk Sun Jan 22 12:07:33 2012 From: pkwi at fysik.dtu.dk (=?Windows-1252?Q?Peter_Kj=E6r_Willendrup?=) Date: Sun, 22 Jan 2012 12:07:33 +0100 Subject: [mcstas-users] Using Virtual_output Component In-Reply-To: <4F199417.5060208@nbi.ku.dk> References: <4F199417.5060208@nbi.ku.dk> Message-ID: <7E08B540-AC8E-496D-8F3B-71F61AEB60DB@fysik.dtu.dk> Dear Heloisa, Ruep, On Jan 20, 2012, at 5:19 PM, Heloisa N. Bordallo wrote: I have optimized my chopper and guide system, and now I am trying to use the Virtual_output Component. However I can only use a neutron count of 100000000 to perform my simulation in this way, if I try to send more I get the message : Job exited abnormally. Doe it happen because the file I am trying to create is just huge? This sounds a little strange, could you try sending me the complete output of your simulation, e.g. File -> Save output/Log file from mcgui? By the way, what exactly do you mean by "huge"? Generally speaking, "some million events" in the output file should be enough as a starting point? Then, what is the best way to use such a component? At the moment I have it as: COMPONENT fichier_sortie = Virtual_output( file = "exit_guide_result.dat", type = "double") AT (0, 0, 1e-4) RELATIVE PREVIOUS I have generally only used the default "text" format with Virtual_output, but this of course does not help in regard to getting smaller output files? Are you aware that an input file can be repeated a number of times in Virtual_input? The repeat_count is used for that, and your resulting --ncount will be repeat_count * number of events in the file. To be specific, use a "big" --ncount in the second part of the simulation, and perhaps define an input parameter Rep which is used as repeat_count on the Virtual_input source. Also how can I be sure I get the right intensity distribution? By the way I am using the SNS_source.component as input, and I would like to preserve the ToF-lambda distribution, once using the file = "exit_guide_result.dat" as input file for the Virtual_input Component. As long as you "use all events" from the file an integer number of times, any aspect of the neutron event distribution is preserved. An alternative to using Virtual_input / Virtual_output is the use of the SPLIT keyword, see the manual and the "advanced McStas course" in Copenhagen on wednesday. :) Cheers, Peter Technical University of Denmark [cid:image002.gif at 01CCCAF1.5E6331F0] Department of Physics DTU Frederiksborgvej 399 Building 229 DK-4000 Roskilde Direct +45 4677 5862 Mobil +45 2125 4612 Fax +45 4677 5758 pkwi at fysik.dtu.dk -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image002.gif Type: image/gif Size: 1055 bytes Desc: image002.gif URL: From granrothge at ornl.gov Mon Jan 23 17:38:57 2012 From: granrothge at ornl.gov (Granroth, Garrett E.) Date: Mon, 23 Jan 2012 11:38:57 -0500 Subject: [mcstas-users] Using Virtual_output Component In-Reply-To: <7E08B540-AC8E-496D-8F3B-71F61AEB60DB@fysik.dtu.dk> References: <4F199417.5060208@nbi.ku.dk> <7E08B540-AC8E-496D-8F3B-71F61AEB60DB@fysik.dtu.dk> Message-ID: <69D82BA2-20E2-4346-9F4A-BB0D13C5E1CB@ornl.gov> Hi Heloisa, I have found the SPLIT keyword is easier to use and prefer this to the virtual source. Nevertheless for a chopper spectrometer the Virtual_ouput and Virtual_input can make a huge help in efficiency. for simulations where the incident configuration is identical. I have only used the Virtual input and output effectively once in 2010 as a proof of principal so I am far from an expert, but this is what worked for me. I used the binary format, my virtual source was located just before the sample position on a direct geometry spectrometer. So the distribution on the virtual_output was well localized in time and space. My output command looked similar to yours. Best, Garrett On Jan 22, 2012, at 6:07 AM, Peter Kj?r Willendrup wrote: Dear Heloisa, Ruep, On Jan 20, 2012, at 5:19 PM, Heloisa N. Bordallo wrote: I have optimized my chopper and guide system, and now I am trying to use the Virtual_output Component. However I can only use a neutron count of 100000000 to perform my simulation in this way, if I try to send more I get the message : Job exited abnormally. Doe it happen because the file I am trying to create is just huge? This sounds a little strange, could you try sending me the complete output of your simulation, e.g. File -> Save output/Log file from mcgui? By the way, what exactly do you mean by "huge"? Generally speaking, "some million events" in the output file should be enough as a starting point? Then, what is the best way to use such a component? At the moment I have it as: COMPONENT fichier_sortie = Virtual_output( file = "exit_guide_result.dat", type = "double") AT (0, 0, 1e-4) RELATIVE PREVIOUS I have generally only used the default "text" format with Virtual_output, but this of course does not help in regard to getting smaller output files? Are you aware that an input file can be repeated a number of times in Virtual_input? The repeat_count is used for that, and your resulting --ncount will be repeat_count * number of events in the file. To be specific, use a "big" --ncount in the second part of the simulation, and perhaps define an input parameter Rep which is used as repeat_count on the Virtual_input source. Also how can I be sure I get the right intensity distribution? By the way I am using the SNS_source.component as input, and I would like to preserve the ToF-lambda distribution, once using the file = "exit_guide_result.dat" as input file for the Virtual_input Component. As long as you "use all events" from the file an integer number of times, any aspect of the neutron event distribution is preserved. An alternative to using Virtual_input / Virtual_output is the use of the SPLIT keyword, see the manual and the "advanced McStas course" in Copenhagen on wednesday. :) Cheers, Peter Technical University of Denmark Department of Physics DTU Frederiksborgvej 399 Building 229 DK-4000 Roskilde Direct +45 4677 5862 Mobil +45 2125 4612 Fax +45 4677 5758 pkwi at fysik.dtu.dk _______________________________________________ mcstas-users mailing list mcstas-users at mcstas.org http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users Garrett E. Granroth SEQUOIA Lead Instrument Scientist Neutron Scattering Sciences Division Oak Ridge National Laboratory P.O. Box 2008 MS 6475 Oak Ridge TN 37831 Tel: 865-805-0631 Fax: 865-574-6080 email:granrothge at ornl.gov From pkwi at fysik.dtu.dk Mon Mar 5 18:42:45 2012 From: pkwi at fysik.dtu.dk (=?iso-8859-1?Q?Peter_Kj=E6r_Willendrup?=) Date: Mon, 5 Mar 2012 18:42:45 +0100 Subject: [mcstas-users] Call for contributions to McStas 2.0 Message-ID: Hello everyone, The McStas development team is currently busy preparing McStas 2.0 for release in april this year. We would therefore warmly welcome any user contribution in terms of: * New components * Improved components * Example instruments * Useful scripts, tools etc. The only requirements for submission of a contribution are: Reasonably readable code and an good example instrument showing the use of the contribution. To contribute, please contact one of the core team developers. The current list of new features / improvements to McStas 2.0 includes: * Components: * Uniformized parameter naming across components (breaks some backward compatibility for user-instruments) - But just send problematic cases along! * Support for any shape in our sample components and some optics components, facilitated via Geomview OFF format * First use of Geomview OFF format in neutron optics components: Guide_anyshape (E. Farhi) * Updated version of the ESS_moderator_long (K. Lefmann) component including * Bi-spectral mode (H. Jacobsen, E. Klinkby) * Updated geometry wrt. ESS baseline geometry (E. Klinkby) * Multi-pulse mode * Bug-fixed version of SNS_source (G. Granroth), removes runtime error on Windows systems, implements MPI * Updates to various other components * General: * "Best practice" document for selection of right neutron source parameters (common with Vitess) * Example instruments: * A richer suite of example instruments with more thorough testing of components * Polarization: * All components support polarized neutron simulations * Possibility for nesting magnetic fields, e.g. for stray fields * Standardized method for neutron propagation in tabulated magnetic fields (e.g. from Radia or freefem) * Tool layer / package infrastructure: * Independent core- component- and tool packages: * New Python/matplotlib based solution * Legacy Perl/PGPLOT based solution * Interface-code for the iFit data analysis package http://ifit.mccode.org Best regards, Peter Willendrup Peter Kj?r Willendrup Development engineer DTU Physics 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 Tue Mar 6 22:41:02 2012 From: pkwi at fysik.dtu.dk (=?Windows-1252?Q?Peter_Kj=E6r_Willendrup?=) Date: Tue, 6 Mar 2012 22:41:02 +0100 Subject: [mcstas-users] Lion installation does not work! In-Reply-To: References: Message-ID: <90BFE775-FCFF-4CF6-AEDD-0BB4BCA43906@fysik.dtu.dk> Hi Boris, On Mar 6, 2012, at 18:24 , Boris Khaykovich wrote: I'm trying to install McStas-1.12c-OSX-Lion.dmg on a Lion OSX computer. The system issues a warning and does not do anything. "The following disk image cannot be open", Reason: "Unrecognized" I used to have a previous version installed, but it was lucking some functionalities. Would you give me a hint of how to start the installation? I can install other dmg files. I downloaded the installer multiple times and restarted the computer, all I could think of doing. I just had I look - I unfortunately reproduce what you report? :-( The conclusion is that the uploaded image is corrupt, sorry about this - but thanks for reporting! I am in Argentina on a crappy internet connection, but back in europe on monday, so I might not successfully re-upload before then? Best, Peter 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 Mon Mar 12 14:17:01 2012 From: pkwi at fysik.dtu.dk (=?Windows-1252?Q?Peter_Kj=E6r_Willendrup?=) Date: Mon, 12 Mar 2012 14:17:01 +0100 Subject: [mcstas-users] Lion installation does not work! In-Reply-To: <90BFE775-FCFF-4CF6-AEDD-0BB4BCA43906@fysik.dtu.dk> References: <90BFE775-FCFF-4CF6-AEDD-0BB4BCA43906@fysik.dtu.dk> Message-ID: <8DC43034-E46E-4AB2-99C3-9CC7C45E4F19@fysik.dtu.dk> Hello everyone, As you may have noticed, the McStas 1.12c dmg image for OS X Lion previously available for download seemed to be corrupt. A new image is available at http://www.mcstas.org/downloads/McStas-1.12c-OSX-Lion-respin.dmg Best regards, Peter Willendrup Peter Kj?r Willendrup Development engineer DTU Physics 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 On Mar 6, 2012, at 21:41 , Peter Kj?r Willendrup wrote: Hi Boris, On Mar 6, 2012, at 18:24 , Boris Khaykovich wrote: I'm trying to install McStas-1.12c-OSX-Lion.dmg on a Lion OSX computer. The system issues a warning and does not do anything. "The following disk image cannot be open", Reason: "Unrecognized" I used to have a previous version installed, but it was lucking some functionalities. Would you give me a hint of how to start the installation? I can install other dmg files. I downloaded the installer multiple times and restarted the computer, all I could think of doing. I just had I look - I unfortunately reproduce what you report? :-( The conclusion is that the uploaded image is corrupt, sorry about this - but thanks for reporting! I am in Argentina on a crappy internet connection, but back in europe on monday, so I might not successfully re-upload before then? Best, Peter 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: -------------- 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: