new GSAS/EXPGUI release for Mac OSX (Intel & PPC)
I'd like to announce two new GSAS/EXPGUI releases for Macintosh computers running OSX 10.4 (not 10.3) that bring the Mac up-to-date with the April 2006 release of GSAS for Windows and Linux. There is a release for older Macs with PowerPC CPUs (G4/G5). This version completes the GSAS test suite in about half the time of the previous release: http://www.bessrc.aps.anl.gov/xtal/OSX_gsas+expgui_PPC_2007Jan15.dmg (14 Mb) The increase of speed is due to use of g77 compiler optimization. There is also a release compiled for newer Macs with Intel CPUs. Comparing a 1.67 GHz G4 laptop with a 1.66 GHz Intel mini, this release runs the GSAS test suite again about twice as fast as the new optimized PPC version: http://www.bessrc.aps.anl.gov/xtal/OSX_gsas +expgui_Intel_2007Jan15.dmg (32 Mb) This required a switch to a newer compiler (g95). While it completes the test suite fine, it should be considered as beta-test since the test do not exercise all of the code. If any questionable results are obtained, before reporting a bug, confirm that the PPC GSAS version in emulation (rosetta) or the Windows version produce a different result with the same input and .EXP files. For those interested: with a dual core Mac, two GSAS runs do complete in almost exactly the same amount of time as a single job; Also, PPC emulation is something like a factor of 5 slower than running GSAS native. Brian
RE: new GSAS (EXPGUI)
Larry, I knew about this but was hoping that there was a way within Windows to keep the window open. Bob At 06:53 PM 4/14/01 -0700, you wrote: >Bob, > >At 08:06 AM 4/12/01 -0600, you wrote: > >>>2) is it correct that using PC-GSAS the windows automatically close after >>>the program finish? From my point of view it should better to have the >>>possibility to read the refinement results >> >>Yes, but I like the windows to stay open too. I havn't found out how tho. >>Any suggestions are welcome. > >In my Visual Basic Shell for GSAS, I call the following batch file rather >than the executable directly. One only needs to keep the window open for >GENLES and a few other programs. > > >@echo off >%1 %2 %3 %4 >pause > >I named the script vb-gsas.bat, thus the call to GENLES is vb-gsas.bat >genles experiment.exp. The extra arguments take care of any contingencies. > >Larry > > > >-- >Larry W. Finger [EMAIL PROTECTED] >1400 Colorado St.Phone: +1 (240) 463-2051 >Boulder City, NV 89005 FAX: +1 (209) 844-9855 > >http://www.lwfinger.net/ < Note New URL and E-mail address
RE: new GSAS (EXPGUI)
Bob, At 08:06 AM 4/12/01 -0600, you wrote: >>2) is it correct that using PC-GSAS the windows automatically close after >>the program finish? From my point of view it should better to have the >>possibility to read the refinement results > >Yes, but I like the windows to stay open too. I havn't found out how tho. >Any suggestions are welcome. In my Visual Basic Shell for GSAS, I call the following batch file rather than the executable directly. One only needs to keep the window open for GENLES and a few other programs. @echo off %1 %2 %3 %4 pause I named the script vb-gsas.bat, thus the call to GENLES is vb-gsas.bat genles experiment.exp. The extra arguments take care of any contingencies. Larry -- Larry W. Finger [EMAIL PROTECTED] 1400 Colorado St.Phone: +1 (240) 463-2051 Boulder City, NV 89005 FAX: +1 (209) 844-9855 http://www.lwfinger.net/ < Note New URL and E-mail address
RE: new GSAS (EXPGUI)
Dear Davide, At 11:40 AM 4/12/01 +0200, you wrote: >Dear Bob, >I have a couple of question: >1) when I try to use LINUX GSAS powpref and genles say that exp file it is >not complete, but Expedt read it after a conversion. what I should do? I >already tried to use convert but nothing change! That is the proper response from EXPEDT with an old Linux EXP file; the file is permanently fixed. The old one is still around as a CRD file. Get rid of any old "convert" routine and use CNVFILE to fix EXP & rawfiles. >2) is it correct that using PC-GSAS the windows automatically close after >the program finish? From my point of view it should better to have the >possibility to read the refinement results Yes, but I like the windows to stay open too. I havn't found out how tho. Any suggestions are welcome. Bob >all the best >Davide > > >-Original Message- > >From: Bob Von Dreele [mailto:[EMAIL PROTECTED]] > >Sent: 11 April 2001 21:29 > >To: [EMAIL PROTECTED] > >Subject: Re: new GSAS (EXPGUI) > > > > > >Hi Armel, > >Ah well. I did have that as a plan a long time ago. Well I do the > >"official" version. > >Bob > >At 08:41 PM 4/11/01 +0200, you wrote: > >>Hello Bob, > >> > >> >Attached is the new Linux version (with fixes). > >> > >>Ooops. > >> > >>Now that the GSAS Fortran source is in the mailboxes > >>of > 300 subscribers of the Rietveld mailing list as well > >>as in the list archives, may I add it in the Crystallography > >>Source Code Museum ?-). > >> > >>Armel > >>http://sdpd.univ-lemans.fr/museum/ > >> > >
RE: new GSAS (EXPGUI)
Dear Bob, I have a couple of question: 1) when I try to use LINUX GSAS powpref and genles say that exp file it is not complete, but Expedt read it after a conversion. what I should do? I already tried to use convert but nothing change! 2) is it correct that using PC-GSAS the windows automatically close after the program finish? From my point of view it should better to have the possibility to read the refinement results all the best Davide >-Original Message- >From: Bob Von Dreele [mailto:[EMAIL PROTECTED]] >Sent: 11 April 2001 21:29 >To: [EMAIL PROTECTED] >Subject: Re: new GSAS (EXPGUI) > > >Hi Armel, >Ah well. I did have that as a plan a long time ago. Well I do the >"official" version. >Bob >At 08:41 PM 4/11/01 +0200, you wrote: >>Hello Bob, >> >> >Attached is the new Linux version (with fixes). >> >>Ooops. >> >>Now that the GSAS Fortran source is in the mailboxes >>of > 300 subscribers of the Rietveld mailing list as well >>as in the list archives, may I add it in the Crystallography >>Source Code Museum ?-). >> >>Armel >>http://sdpd.univ-lemans.fr/museum/ >> >
Re: new GSAS (EXPGUI)
Hi Armel, Ah well. I did have that as a plan a long time ago. Well I do the "official" version. Bob At 08:41 PM 4/11/01 +0200, you wrote: >Hello Bob, > > >Attached is the new Linux version (with fixes). > >Ooops. > >Now that the GSAS Fortran source is in the mailboxes >of > 300 subscribers of the Rietveld mailing list as well >as in the list archives, may I add it in the Crystallography >Source Code Museum ?-). > >Armel >http://sdpd.univ-lemans.fr/museum/ >
Re: new GSAS (EXPGUI)
Hello Bob, >Attached is the new Linux version (with fixes). Ooops. Now that the GSAS Fortran source is in the mailboxes of > 300 subscribers of the Rietveld mailing list as well as in the list archives, may I add it in the Crystallography Source Code Museum ?-). Armel http://sdpd.univ-lemans.fr/museum/
Re: new GSAS (EXPGUI)
Brian, Attached is the new Linux version (with fixes). This has the new VERSION version and a fix to the texture stuff. Apparently the g77 version of atan2 doesn't know what to do with atan2(0,0). Use this one for the SGI. Bob gsassource.tar.gz
Re: new GSAS (EXPGUI)
Anthony Manerbino wrote: > Is the program expgui used instead of the routine expedt for entering > structural information and bring experimental patterns into GSAS? In a word, yes. EXPGUI does only a fraction of what EXPEDT does, but I would like to think it is pretty useful. See http://www.ncnr.nist.gov/xtal/software/expgui/expgui_intro.html for more info. Brian P.S. The current version should work fine with the latest GSAS release for Windows, but I have not yet gotten my act together for the "beta" Linux release. Brian H. Toby, Ph.D.Leader, Crystallography Team [EMAIL PROTECTED] NIST Center for Neutron Research, Stop 8562 voice: 301-975-4297 National Institute of Standards & Technology FAX: 301-921-9847Gaithersburg, MD 20899-8562 http://www.ncnr.nist.gov/xtal
