From pkwi at dtu.dk Thu May 16 15:47:08 2024 From: pkwi at dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Thu, 16 May 2024 13:47:08 +0000 Subject: [mcstas-users] (Experimental) Previews of forthcoming 3.5-release Message-ID: Dear all, If you want a sneak preview at the forthcoming McStas 3.5-release, we recommend you to try either * Our conda-forge packages (NB: The Windows version of the package does not include MCPL and NCrystal yet) * A new set of conda-based macOS app bundles (Based on conda-forge and should auto-download the newest conda-package plus dependencies) * Corresponding Debian packages, Windows/MinGW package and macOS/Intel package are built on a nightly basis via GitHub action "mcstas-autobuild") see e.g. this latest one (The packages are available in the "artifacts", download may require being logged in on GitHub. Somewhat confusingly, the Windows build is enclosed in the "ubuntu" artifact.) Among the hightlights are: 1. New default-CFLAGS (Gives improved simulation performance of ~ 30-40% when using gcc and/or clang on Unix platforms at the cost of 5-10% longer compile time. - Thanks to Thomas Kittelmann for help debugging a slowdown found when using the built-in compilers on conda :-) ) 2. Tighter integration with McStasScript (mcstas-pygen-driven button in mcgui directly spawns JupyterLab with a generated notebook) 3. McStasScript is automatically included and configured on mac and Windows builds 4. We have started organising the instrument-examples in a folder-structure, allowing to distribute "more than just the instrument-file" as an example. (Case-specific datafiles or geometry-files, c-code snippets, python scripts or McStasScript notebooks welcome - we still want new comps to arrive in contrib) 5. New GISANS_sample.comp contribution from Henrich Frielinghaus, allows to simulate selected samples for Grazing Incidence SANS. 6. New File.comp contribution from Greg Tucker, allows to use metadata blocks to store input-files for components (e.g. for a small OFF file or other datafile - then visible alongside instr in your editor.) 7. ... and we are working on freshening up certain aspects of the 3D-visualisation... ;-) (New visualisation is not yet included in the above-mentioned packages...) Do you have new component- or instrument-developments you would like included in next release? - Then NOW is a good time to send them. :-) We prefer of you open a PR on GitHub but of course email-based contributions are also welcome. :-) Finally, if you know anyone running McXtrace most of the above should also work for them. And going forward, releases of McStas and McXtrace should come in pairs with the same versioning. Greetings on behalf of the McStas team, Peter Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent DTU Physics [image001.gif] Technical University of Denmark [image002.gif] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Main office at ESS DMSC Building 305 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 sherlinete at ornl.gov Thu Jun 13 18:02:20 2024 From: sherlinete at ornl.gov (Sherline, Todd) Date: Thu, 13 Jun 2024 16:02:20 +0000 Subject: [mcstas-users] Can' Scan McStas3 on Win11 Message-ID: HI all, I cannot perform parameter scans using my installation of McStas 3.4. I am running on a 64 bit Windows 10 Enterprise machine. I noticed that there are specific installation instructions for the case when my machine is behind a proxy server. I am at the SNS, so I assume that is the case, but I did not follow those instructions when I installed the McStas 3.4 Metapackage. Could this be the reason I cannot run a scan? Other than the problem with scans, the installation seems to work fine. Should I try reinstalling it using the instructions specific to proxy servers? Any other ideas why this problem may crop up? Best, Todd. [cid:image001.png at 01DABD89.8A70D2F0] -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: image001.png Type: image/png Size: 190308 bytes Desc: image001.png URL: From pkwi at dtu.dk Thu Jun 13 21:12:21 2024 From: pkwi at dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Thu, 13 Jun 2024 19:12:21 +0000 Subject: [mcstas-users] Can' Scan McStas3 on Win11 Message-ID: Hi Todd I believe we are no longer sensitive to the mention proxy issue, and this should have nothing to do with the issue you mention. - And there should be no reason to reinstall anything if you are able to bring up the gui. Can you elaborate a bit on how you are attempting to scan - and how it fails for you? (e.g. send me a screenshot) To run a scan in mcgui: - Bring up the ?run dialogue? - Supply the scan-range by adding e.g. 0,1 (no whitespace) in a parameter entry box - Supply the wanted number of steps e.g. 11 To run a scan on the commandline - use mcrun and supply parameter range and number of steps using e.g. mcrun instrument.instr par1=0,1 -N11 Best, Peter Sherlinete at ornl.gov wrote: HI all, I cannot perform parameter scans using my installation of McStas 3.4. I am running on a 64 bit Windows 10 Enterprise machine. I noticed that there are specific installation instructions for the case when my machine is behind a proxy server. I am at the SNS, so I assume that is the case, but I did not follow those instructions when I installed the McStas 3.4 Metapackage. Could this be the reason I cannot run a scan? Other than the problem with scans, the installation seems to work fine. Should I try reinstalling it using the instructions specific to proxy servers? Any other ideas why this problem may crop up? Best, Todd. Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent DTU Physics [image001.gif] Technical University of Denmark [image002.gif] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Main office at ESS DMSC Building 305 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 sherlinete at ornl.gov Thu Jun 13 21:55:15 2024 From: sherlinete at ornl.gov (Sherline, Todd) Date: Thu, 13 Jun 2024 19:55:15 +0000 Subject: [mcstas-users] Can' Scan McStas3 on Win11 In-Reply-To: References: Message-ID: Peter, Thank you for the reply. Since my previous email, I tested scans using BNL_H9.instr as downloaded from the McStas site. I was able to scan over lambda using that instr file. I?ve attached the instr I?m using and the supplementary files it calls. When I run it with a single set of parameters, it runs fine. When I scan over a parameter, it generates output for the first value within a subdirectory ?0? and creates an empty mccode.dat file. The screenshot shows what I type in. The scan is over the IncidentCollRadius and has argument 0.002,0.0025, but it got cut off from the screen. The end of the output looks like: Detector: Norm_Mon_2_Flux_I=709023 Norm_Mon_2_Flux_ERR=5152.36 Norm_Mon_2_Flux_N=21731 "Norm_Mon_2_Flux" Detector: SampleColl_up_Flux_Tile_I=709023 SampleColl_up_Flux_Tile_ERR=5152.36 SampleColl_up_Flux_Tile_N=21731 "SampleColl_up_Flux_Tile" Detector: SampleColl_dn_Flux_Ap_I=53261.2 SampleColl_dn_Flux_Ap_ERR=1421.34 SampleColl_dn_Flux_Ap_N=1563 "SampleColl_dn_Flux_Ap" Detector: Sample_Position_Flux_Tile_I=53261.2 Sample_Position_Flux_Tile_ERR=1421.34 Sample_Position_Flux_Tile_N=1563 "Sample_Position_Flux_Tile" Detector: Sample_Position_Flux_Ap_I=45675.9 Sample_Position_Flux_Ap_ERR=1321.34 Sample_Position_Flux_Ap_N=1324 "Sample_Position_Flux_Ap" Finally [SNAP: Z:\Sherline\Work\Experiments\ULT_DAC\IPTS-32577.1\McStas_SNAP\MyStuff\TestingForScans\StartWithThomass\SNAP_McStas3_5_20240613_153300/0]. Time: 7 [s] INFO: Finish running step, get detectors Traceback (most recent call last): File "C:\mcstas-3.4\lib\tools\Python\mcrun\mcrun.py", line 562, in main() File "C:\mcstas-3.4\lib\tools\Python\mcrun\mcrun.py", line 531, in main scanner.run() # in optimisation.py File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 259, in run detectors = mcsimdetectors(current_dir) File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 169, in mcsimdetectors return [Detector(d['component'], *d['values'].split(), d['filename']) for d in blocks] File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 169, in return [Detector(d['component'], *d['values'].split(), d['filename']) for d in blocks] KeyError: 'filename' Sincerely, Todd. [cid:image001.png at 01DABDA8.F41A7160] From: Peter Kj?r Willendrup Sent: Thursday, June 13, 2024 3:12 PM To: mcstas Cc: Sherline, Todd Subject: [EXTERNAL] Re: [mcstas-users] Can' Scan McStas3 on Win11 Hi Todd I believe we are no longer sensitive to the mention proxy issue, and this should have nothing to do with the issue you mention. - And there should be no reason to reinstall anything if you are able to bring up the gui. Can you elaborate a bit on how you are attempting to scan - and how it fails for you? (e.g. send me a screenshot) To run a scan in mcgui: - Bring up the ?run dialogue? - Supply the scan-range by adding e.g. 0,1 (no whitespace) in a parameter entry box - Supply the wanted number of steps e.g. 11 To run a scan on the commandline - use mcrun and supply parameter range and number of steps using e.g. mcrun instrument.instr par1=0,1 -N11 Best, Peter Sherlinete at ornl.gov wrote: HI all, I cannot perform parameter scans using my installation of McStas 3.4. I am running on a 64 bit Windows 10 Enterprise machine. I noticed that there are specific installation instructions for the case when my machine is behind a proxy server. I am at the SNS, so I assume that is the case, but I did not follow those instructions when I installed the McStas 3.4 Metapackage. Could this be the reason I cannot run a scan? Other than the problem with scans, the installation seems to work fine. Should I try reinstalling it using the instructions specific to proxy servers? Any other ideas why this problem may crop up? Best, Todd. Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent DTU Physics Technical University of Denmark [cid:image003.gif at 01DABDA8.F41A7160] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Main office at ESS DMSC Building 305 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: SNAP_McStas3_5.instr Type: application/octet-stream Size: 6159 bytes Desc: SNAP_McStas3_5.instr URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: SNAPguide_new_final_final Type: application/octet-stream Size: 67004 bytes Desc: SNAPguide_new_final_final URL: From pkwi at dtu.dk Thu Jun 13 22:30:59 2024 From: pkwi at dtu.dk (=?utf-8?B?UGV0ZXIgS2rDpnIgV2lsbGVuZHJ1cA==?=) Date: Thu, 13 Jun 2024 20:30:59 +0000 Subject: [mcstas-users] Can' Scan McStas3 on Win11 In-Reply-To: References: Message-ID: <8AAF0821-0298-4B1A-8E18-6AA1D28B4070@dtu.dk> Hi Todd. I reproduce your issue with McStas 3.4 - also here on my mac, and looking a bit further was actually known already :-) https://github.com/McStasMcXtrace/McCode/issues/1551 The problem is that the scan-tool in 3.4 and earlier attempts to pick up monitor-data from ?datafiles? and in fact the simple Monitor() does not store output files in those versions. A simple workaround is to replace the (scalar counting) Monitor() instances with (pixellated) PSD_monitor(), see attached instr file. ( For reference the issue has in fact been fixed in the McStas sources and will disappear with the next release of McStas. :-) ) Hope the workaround is OK for your use - and sorry for the inconvenience. All the best, , Peter On 13 Jun 2024, at 21.55, Sherline, Todd wrote: Peter, Thank you for the reply. Since my previous email, I tested scans using BNL_H9.instr as downloaded from the McStas site. I was able to scan over lambda using that instr file. I?ve attached the instr I?m using and the supplementary files it calls. When I run it with a single set of parameters, it runs fine. When I scan over a parameter, it generates output for the first value within a subdirectory ?0? and creates an empty mccode.dat file. The screenshot shows what I type in. The scan is over the IncidentCollRadius and has argument 0.002,0.0025, but it got cut off from the screen. The end of the output looks like: Detector: Norm_Mon_2_Flux_I=709023 Norm_Mon_2_Flux_ERR=5152.36 Norm_Mon_2_Flux_N=21731 "Norm_Mon_2_Flux" Detector: SampleColl_up_Flux_Tile_I=709023 SampleColl_up_Flux_Tile_ERR=5152.36 SampleColl_up_Flux_Tile_N=21731 "SampleColl_up_Flux_Tile" Detector: SampleColl_dn_Flux_Ap_I=53261.2 SampleColl_dn_Flux_Ap_ERR=1421.34 SampleColl_dn_Flux_Ap_N=1563 "SampleColl_dn_Flux_Ap" Detector: Sample_Position_Flux_Tile_I=53261.2 Sample_Position_Flux_Tile_ERR=1421.34 Sample_Position_Flux_Tile_N=1563 "Sample_Position_Flux_Tile" Detector: Sample_Position_Flux_Ap_I=45675.9 Sample_Position_Flux_Ap_ERR=1321.34 Sample_Position_Flux_Ap_N=1324 "Sample_Position_Flux_Ap" Finally [SNAP: Z:\Sherline\Work\Experiments\ULT_DAC\IPTS-32577.1\McStas_SNAP\MyStuff\TestingForScans\StartWithThomass\SNAP_McStas3_5_20240613_153300/0]. Time: 7 [s] INFO: Finish running step, get detectors Traceback (most recent call last): File "C:\mcstas-3.4\lib\tools\Python\mcrun\mcrun.py", line 562, in main() File "C:\mcstas-3.4\lib\tools\Python\mcrun\mcrun.py", line 531, in main scanner.run() # in optimisation.py File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 259, in run detectors = mcsimdetectors(current_dir) File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 169, in mcsimdetectors return [Detector(d['component'], *d['values'].split(), d['filename']) for d in blocks] File "C:\mcstas-3.4\lib\tools\Python\mcrun\optimisation.py", line 169, in return [Detector(d['component'], *d['values'].split(), d['filename']) for d in blocks] KeyError: 'filename' Sincerely, Todd. From: Peter Kj?r Willendrup > Sent: Thursday, June 13, 2024 3:12 PM To: mcstas > Cc: Sherline, Todd > Subject: [EXTERNAL] Re: [mcstas-users] Can' Scan McStas3 on Win11 Hi Todd I believe we are no longer sensitive to the mention proxy issue, and this should have nothing to do with the issue you mention. - And there should be no reason to reinstall anything if you are able to bring up the gui. Can you elaborate a bit on how you are attempting to scan - and how it fails for you? (e.g. send me a screenshot) To run a scan in mcgui: - Bring up the ?run dialogue? - Supply the scan-range by adding e.g. 0,1 (no whitespace) in a parameter entry box - Supply the wanted number of steps e.g. 11 To run a scan on the commandline - use mcrun and supply parameter range and number of steps using e.g. mcrun instrument.instr par1=0,1 -N11 Best, Peter Sherlinete at ornl.gov wrote: HI all, I cannot perform parameter scans using my installation of McStas 3.4. I am running on a 64 bit Windows 10 Enterprise machine. I noticed that there are specific installation instructions for the case when my machine is behind a proxy server. I am at the SNS, so I assume that is the case, but I did not follow those instructions when I installed the McStas 3.4 Metapackage. Could this be the reason I cannot run a scan? Other than the problem with scans, the installation seems to work fine. Should I try reinstalling it using the instructions specific to proxy servers? Any other ideas why this problem may crop up? Best, Todd. Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent DTU Physics Technical University of Denmark Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Main office at ESS DMSC Building 305 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 Peter Kj?r Willendrup Forskningsingeni?r, Specialkonsulent DTU Physics [cid:42d6faea-2d48-40ed-83f7-52f8fef14230 at EURP192.PROD.OUTLOOK.COM] Technical University of Denmark [cid:465e6203-1a22-4bca-8ff3-aea658aae933 at EURP192.PROD.OUTLOOK.COM] Department of Physics Fysikvej Building 307 DK-2800 Kongens Lyngby Main office at ESS DMSC Building 305 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: SNAP_McStas3_5.instr Type: application/octet-stream Size: 6374 bytes Desc: SNAP_McStas3_5.instr URL: From frostmj at ornl.gov Tue Jun 18 21:51:22 2024 From: frostmj at ornl.gov (Frost, Matthew) Date: Tue, 18 Jun 2024 19:51:22 +0000 Subject: [mcstas-users] Postdoctoral Research Associate - Instrument Development ORNL Message-ID: I would like to bring attention to the following job posting at ORN; please find it copied pasted my signature block. Expertise with McStas would be welcomed as a desirable qualification. Best, Matthew J. Frost, Ph.D. Neutron Sciences Directorate Oak Ridge National Laboratory, TN, USA Mobile: +1 865 323 1177 https://www.ornl.gov/staff-profile/matthew-j-frost JOB POSTING: We are seeking a Postdoctoral Research Associate who will focus on supporting the modeling and development of new, state-of-the-art neutron scattering instrument concepts and designs, for HFIR and SNS, and helping scientists and engineers at ORNL with neutron scattering instruments performance simulations. This position resides in the Neutron Instrument Development Group in the Neutron Instrument Technologies Section, Neutron Technologies Division, Neutron Sciences Directorate at Oak Ridge National Laboratory (ORNL). As part of our research team, you will work independently in conducting research under general guidance and are expected to prepare manuscripts for scientific publication and present the work to sponsors and at conferences. The position will allow the postdoctoral scientist to develop expertise, broaden experience, and interact with a diverse set of instrument scientists at ORNL's neutron science facilities. The candidate should have good written and verbal communication skills and be a motivated self-starter with the ability to work independently and participate creatively in collaborative teams across the laboratory. Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever-changing needs. As a U.S. Department of Energy (DOE) Office of Science national laboratory, ORNL has an extraordinary 80-year history of solving the nation's biggest problems. We have a dedicated and creative staff of over 6,000 people! Our vision for diversity, equity, inclusion, and accessibility (DEIA) is to cultivate an environment and practices that foster diversity in ideas and in the people across the organization, as well as to ensure ORNL is recognized as a workplace of choice. These elements are critical for enabling the execution of ORNL's broader mission to accelerate scientific discoveries and their translation into energy, environment, and security solutions for the nation. Major Duties/Responsibilities: * Develop models and simulations of neutron instruments. * Automation of routine workflows and analysis tools. * Integrate (or co-simulate) neutron component/device models into open-source software tools used by the community like McStas and McVine. * Apply novel methodologies, like AI and ML, to neutron instrument simulations and models. * Deliver ORNL's mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote diversity, equity, inclusion, and accessibility by fostering a respectful workplace - in how we treat one another, work together, and measure success. Basic Qualifications: * A PhD in physics, engineering, or a related field completed within the last 5 years. * Experience in programming using at least one of the following Python, C/C++, Mathlab, Tensorflow, Scikit-learn, PyTorch, etc. Preferred Qualifications: * Previous experience in using AI/ML. * Excellent written and oral communication skills. * Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory. Special Requirements: Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding. Please submit three letters of reference when applying to this position. You may upload these directly to your application or have them sent to postdocrecruitment at ornl.gov with the position title and number referenced in the subject line. Instructions to upload documents to your candidate profile: * Login to your account via jobs.ornl.gov * View Profile * Under the My Documents section, select Add a Document Benefits at ORNL: ORNL offers competitive pay and benefits programs to attract and retain talented people. The laboratory offers many employee benefits, including medical and retirement plans and flexible work hours, to help you and your family live happy and healthy. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also provided for convenience. Other benefits include the following: Prescription Drug Plan, Dental Plan, Vision Plan, 401(k) Retirement Plan, Contributory Pension Plan, Life Insurance, Disability Benefits, Generous Vacation and Holidays, Parental Leave, Legal Insurance with Identity Theft Protection, Employee Assistance Plan, Flexible Spending Accounts, Health Savings Accounts, Wellness Programs, Educational Assistance, Relocation Assistance, and Employee Discounts. If you have difficulty using the online application system or need an accommodation to apply due to a disability, please email: ORNLRecruiting at ornl.gov This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and/or hired. We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format (.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party vendors will not be accepted; these resumes will be deleted and the candidates submitted will not be considered for employment. If you have trouble applying for a position, please email ORNLRecruiting at ornl.gov. ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-Verify employer. Apply now > https://jobs.ornl.gov/job-invite/13163/ -------------- next part -------------- An HTML attachment was scrubbed... URL: