From manuelmelle at gmail.com Wed May 2 13:01:09 2012 From: manuelmelle at gmail.com (Manuel Melle Franco) Date: Wed, 2 May 2012 12:01:09 +0100 Subject: [xcrysden] support for crystal09 f9 files Message-ID: Hi, First thank you for a very nice piece of software, it is really helpful and the output is very nice, AMAZING WORKl!!! I want to use it with crystal09, yet it cannot read crystal09 f9 files. It works fine with crystal06 f9 files as notes in the documentation. Any plans to support crystal09 output or work arounds (besides running the same thing with crystal06)? regards Manu ____________________________________________________________ Mohandas K. Gandhi often changed his mind publicly.? An aide once asked him how he could so freely contradict this week what he had said just last week.? The great man replied that it was because this week he knew better. ____________________________________________________________ Manuel Melle-Franco, Ph.D. Investigador Auxiliar Centro de Ci?ncias e Tecnologias de Computa??o, CCTC Universidade do Minho Campus de Gualtar 4710-057 Braga PORTUGAL --------------------------------------------------------- A mind all logic is like a knife all blade. It makes the hand bleed that uses it. Rabindranath Tagore --------------------------------------------------------- From ca.sa_bl.an at tiscali.it Thu May 3 00:55:39 2012 From: ca.sa_bl.an at tiscali.it (Danilo Addari) Date: Thu, 03 May 2012 00:55:39 +0200 Subject: [xcrysden] xcrysden-1.5.53-bin-cygwin under cygwin In-Reply-To: <4F9FBBA4.7050206@unica.it> References: <4F9FBBA4.7050206@unica.it> Message-ID: <4FA1BB6B.1030309@tiscali.it> Dear all, I'm having troubles in running xcrysden 1.5.53 under the current release of cygwin (O.S. windows 7 pro 64 bit 6 Mb RAM). The program starts but gives the following error message: ERROR: while executing exec /xcrysden-1.5.53-bin-cygwin/binftnunit couldn't fork child process resource temporary unavailable It looks as there is something wrong with Tcl/Tk (version 8.5 currently installed). Xcrysden is unable to open any kind of file. Can someone help me please? Regards From tone.kokalj at ijs.si Fri May 4 15:42:18 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Fri, 04 May 2012 15:42:18 +0200 Subject: [xcrysden] support for crystal09 f9 files In-Reply-To: References: Message-ID: <1336138938.5107.32.camel@catalyst.ijs.si> On Wed, 2012-05-02 at 12:01 +0100, Manuel Melle Franco wrote: > Hi, > > First thank you for a very nice piece of software, it is really > helpful and the output is very nice, AMAZING WORKl!!! > > I want to use it with crystal09, yet it cannot read crystal09 f9 files. > It works fine with crystal06 f9 files as notes in the documentation. It should work with the crystal09 f9 files as well, but you need to specify the crystal09 binaries in ~/.xcrysden/custom-definitions file. Regards, Tone -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From manuelmelle at gmail.com Fri May 4 17:39:31 2012 From: manuelmelle at gmail.com (Manuel Melle Franco) Date: Fri, 4 May 2012 16:39:31 +0100 Subject: [xcrysden] support for crystal09 f9 files In-Reply-To: <1336138938.5107.32.camel@catalyst.ijs.si> References: <1336138938.5107.32.camel@catalyst.ijs.si> Message-ID: Hi Tone, Thanks for the prompt replay, and a very nice software. It breaks when I try to read 09 f9 (note that they were created with 64 bit binaries), I have crystal09 binaries in the definition, in fact I think run properties with crystal09 on crystal06 f9 files! regards Manu ____________________________________________________________ Mohandas K. Gandhi often changed his mind publicly.? An aide once asked him how he could so freely contradict this week what he had said just last week.? The great man replied that it was because this week he knew better. ____________________________________________________________ Manuel Melle-Franco, Ph.D. Investigador Auxiliar Centro de Ci?ncias e Tecnologias de Computa??o, CCTC Universidade do Minho Campus de Gualtar 4710-057 Braga PORTUGAL --------------------------------------------------------- A mind all logic is like a knife all blade. It makes the hand bleed that uses it. Rabindranath Tagore --------------------------------------------------------- On Fri, May 4, 2012 at 2:42 PM, Tone Kokalj wrote: > On Wed, 2012-05-02 at 12:01 +0100, Manuel Melle Franco wrote: >> Hi, >> >> First thank you for a very nice piece of software, it is really >> helpful and the output is very nice, AMAZING ?WORKl!!! >> >> I want to use it with crystal09, yet it cannot read crystal09 f9 files. >> It works fine with crystal06 f9 files as notes in the documentation. > > It should work with the crystal09 f9 files as well, but you need to > specify the crystal09 binaries in ~/.xcrysden/custom-definitions file. > > Regards, Tone > > -- > Anton Kokalj > J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia > (tel: +386-1-477-3523 // fax:+386-1-477-3822) > > Please, if possible, avoid sending me Word or PowerPoint attachments. > See: ?http://www.gnu.org/philosophy/no-word-attachments.html > > _______________________________________________ > XCrySDen mailing list > XCrySDen at democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden From tone.kokalj at ijs.si Mon May 7 10:16:23 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Mon, 07 May 2012 10:16:23 +0200 Subject: [xcrysden] xcrysden-1.5.53-bin-cygwin under cygwin In-Reply-To: <4FA1BB6B.1030309@tiscali.it> References: <4F9FBBA4.7050206@unica.it> <4FA1BB6B.1030309@tiscali.it> Message-ID: <1336378583.21619.8.camel@catalyst.ijs.si> On Thu, 2012-05-03 at 00:55 +0200, Danilo Addari wrote: > Dear all, > I'm having troubles in running xcrysden 1.5.53 under the current release > of cygwin (O.S. windows 7 pro 64 bit 6 Mb RAM). The program starts but gives the > following error message: > ERROR: while executing exec /xcrysden-1.5.53-bin-cygwin/bin/ftnunit > couldn't fork child process resource temporary unavailable > It looks as there is something wrong with Tcl/Tk (version 8.5 currently > installed). No, it seems like it cannot execute the fortran compiled binaries. Anyway, googling a bit about your error reveals that it may NOT be connected to directly to the program you are running (in this your case xcrysden and its subprocesses). Perhaps this is a valuable link: http://cygwin.wikia.com/wiki/Rebaseall Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From tone.kokalj at ijs.si Mon May 7 10:21:35 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Mon, 07 May 2012 10:21:35 +0200 Subject: [xcrysden] support for crystal09 f9 files In-Reply-To: References: <1336138938.5107.32.camel@catalyst.ijs.si> Message-ID: <1336378895.21619.12.camel@catalyst.ijs.si> On Fri, 2012-05-04 at 16:39 +0100, Manuel Melle Franco wrote: > Hi Tone, > > Thanks for the prompt replay, and a very nice software. > > It breaks when I try to read 09 f9 (note that they were created with > 64 bit binaries), > I have crystal09 binaries in the definition, in fact I think run > properties with crystal09 on > crystal06 f9 files! Have the f9 files been generated on the same computer (or with the same binaries) as used by xcrysden? Note that the f9 is not actually read by xcrysden, but by crystal binaries, so if you get an error the error is likely from crystal. Please be more specific and provide more info about the error. Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From manuelmelle at gmail.com Mon May 7 13:11:25 2012 From: manuelmelle at gmail.com (Manuel Melle Franco) Date: Mon, 7 May 2012 12:11:25 +0100 Subject: [xcrysden] support for crystal09 f9 files In-Reply-To: <1336378895.21619.12.camel@catalyst.ijs.si> References: <1336138938.5107.32.camel@catalyst.ijs.si> <1336378895.21619.12.camel@catalyst.ijs.si> Message-ID: You are right, in fact I tried rightnow and it DOES work. Fulll apologies for the trouble and once more thanks for a very nice piece of software and the support! very best regards Manuel ____________________________________________________________ Mohandas K. Gandhi often changed his mind publicly.? An aide once asked him how he could so freely contradict this week what he had said just last week.? The great man replied that it was because this week he knew better. ____________________________________________________________ Manuel Melle-Franco, Ph.D. Investigador Auxiliar Centro de Ci?ncias e Tecnologias de Computa??o, CCTC Universidade do Minho Campus de Gualtar 4710-057 Braga PORTUGAL --------------------------------------------------------- A mind all logic is like a knife all blade. It makes the hand bleed that uses it. Rabindranath Tagore --------------------------------------------------------- On Mon, May 7, 2012 at 9:21 AM, Tone Kokalj wrote: > On Fri, 2012-05-04 at 16:39 +0100, Manuel Melle Franco wrote: >> Hi Tone, >> >> Thanks for the prompt replay, and a very nice software. >> >> It breaks when I try to ?read 09 f9 (note that they were created with >> 64 bit binaries), >> I have crystal09 binaries in the definition, in fact I think run >> properties with crystal09 on >> crystal06 f9 files! > > Have the f9 files been generated on the same computer (or with the same > binaries) as used by xcrysden? Note that the f9 is not actually read by > xcrysden, but by crystal binaries, so if you get an error the error is > likely from crystal. Please be more specific and provide more info about > the error. > > Regards, > -- > Anton Kokalj > J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia > (tel: +386-1-477-3523 // fax:+386-1-477-3822) > > Please, if possible, avoid sending me Word or PowerPoint attachments. > See: ?http://www.gnu.org/philosophy/no-word-attachments.html > > _______________________________________________ > XCrySDen mailing list > XCrySDen at democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden From ca.sa_bl.an at tiscali.it Wed May 9 11:21:58 2012 From: ca.sa_bl.an at tiscali.it (DaniloAddari) Date: Wed, 09 May 2012 11:21:58 +0200 Subject: [xcrysden] xcrysden-1.5.53-bin-cygwin under cygwin In-Reply-To: <1336378583.21619.8.camel@catalyst.ijs.si> References: <4F9FBBA4.7050206@unica.it> <4FA1BB6B.1030309@tiscali.it> <1336378583.21619.8.camel@catalyst.ijs.si> Message-ID: <4FAA3736.5070804@tiscali.it> Dear Tone, many many thanks for your valuable hint. Rebasing fixed the issue. Regards Il 07/05/2012 10:16, Tone Kokalj ha scritto: > On Thu, 2012-05-03 at 00:55 +0200, Danilo Addari wrote: >> Dear all, >> I'm having troubles in running xcrysden 1.5.53 under the current release >> of cygwin (O.S. windows 7 pro 64 bit 6 Mb RAM). The program starts but gives the >> following error message: >> ERROR: while executing exec /xcrysden-1.5.53-bin-cygwin/bin/ftnunit >> couldn't fork child process resource temporary unavailable >> It looks as there is something wrong with Tcl/Tk (version 8.5 currently >> installed). > No, it seems like it cannot execute the fortran compiled binaries. > Anyway, googling a bit about your error reveals that it > may NOT be connected to directly to the program you are running > (in this your case xcrysden and its subprocesses). > > Perhaps this is a valuable link: http://cygwin.wikia.com/wiki/Rebaseall > > Regards, From georg.eickerling at physik.uni-augsburg.de Wed May 9 17:15:38 2012 From: georg.eickerling at physik.uni-augsburg.de (Georg Eickerling) Date: Wed, 09 May 2012 17:15:38 +0200 Subject: [xcrysden] Bug report: Calculation of 3D grids Message-ID: <4FAA8A1A.900@physik.uni-augsburg.de> Dear Xcrysden users, I am mainly using Xcrysden's interface to WIEN2K and here the ability to create 3D grid files of the electron density. I want to report a bug which might result in quite a waste of computational time (LINUX Version tested only): Steps to Reproduce: 1. Start a 3D calculation of a grid with WIEN so that Xcrysden displays the progress window and the red "WIEN IS CALCULATING GRID..." window. 2. Click on ANY other window on the screen while Xcrysden tries to update the progress window (to reproduce this easily just click&hold left button on a different window and wait the current slice to be done) 3. Result: the grid-calculation will crash because of a failed grab command 4. Expected behavior: xcrysden should ignore the focus of a window and continue calculating slices This bug resulted in the crash of quite a number of occasions when I tried to continue working while a grid was being calculated in the background. My current workaround: In : xcrysden-1.#.##-bin-semishared/Tcl/wnRunWIEN.tcl delete the command: grab $mw in lines 43 and 62 I hope this is of interest also for other users best regards Georg Eickerling From tone.kokalj at ijs.si Mon May 14 13:00:28 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Mon, 14 May 2012 13:00:28 +0200 Subject: [xcrysden] Bug report: Calculation of 3D grids In-Reply-To: <4FAA8A1A.900@physik.uni-augsburg.de> References: <4FAA8A1A.900@physik.uni-augsburg.de> Message-ID: <1336993228.5739.15.camel@catalyst.ijs.si> On Wed, 2012-05-09 at 17:15 +0200, Georg Eickerling wrote: > Dear Xcrysden users, > > I am mainly using Xcrysden's interface to WIEN2K and here the ability to > create 3D grid files of the electron density. > > I want to report a bug which might result in quite a waste of > computational time (LINUX Version tested only): > > .... > > My current workaround: > > In : > xcrysden-1.#.##-bin-semishared/Tcl/wnRunWIEN.tcl > > delete the command: > grab $mw > in lines 43 and 62 > > I hope this is of interest also for other users Thanks for you report! Could you check if instead of deleting these lines, the following would also work: catch { grab $mw } Would this work, it would be preferred over deleting. Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From georg.eickerling at physik.uni-augsburg.de Mon May 14 13:22:01 2012 From: georg.eickerling at physik.uni-augsburg.de (Georg Eickerling) Date: Mon, 14 May 2012 13:22:01 +0200 Subject: [xcrysden] Bug report: Calculation of 3D grids In-Reply-To: <1336993228.5739.15.camel@catalyst.ijs.si> References: <4FAA8A1A.900@physik.uni-augsburg.de> <1336993228.5739.15.camel@catalyst.ijs.si> Message-ID: <4FB0EAD9.5090000@physik.uni-augsburg.de> > > Could you check if instead of deleting these lines, the following would > also work: > > catch { grab $mw } > > Would this work, it would be preferred over deleting. > Yes, this also works for me. So I'll use this fix instead of deleting the "grab"s. regards Georg Eickerling From tone.kokalj at ijs.si Mon May 14 13:26:03 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Mon, 14 May 2012 13:26:03 +0200 Subject: [xcrysden] Bug report: Calculation of 3D grids In-Reply-To: <4FB0EAD9.5090000@physik.uni-augsburg.de> References: <4FAA8A1A.900@physik.uni-augsburg.de> <1336993228.5739.15.camel@catalyst.ijs.si> <4FB0EAD9.5090000@physik.uni-augsburg.de> Message-ID: <1336994763.13388.8.camel@catalyst.ijs.si> On Mon, 2012-05-14 at 13:22 +0200, Georg Eickerling wrote: > > > > Could you check if instead of deleting these lines, the following would > > also work: > > > > catch { grab $mw } > > > > Would this work, it would be preferred over deleting. > > > > Yes, this also works for me. So I'll use this fix instead of deleting > the "grab"s. Good! I will change the code accordingly. Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From khoncj at gmail.com Sat May 19 03:33:41 2012 From: khoncj at gmail.com (cj gong) Date: Sat, 19 May 2012 09:33:41 +0800 Subject: [xcrysden] XCrySDen Digest, Vol 52, Issue 5 In-Reply-To: References: Message-ID: i am sorry to bother all of you, now i meet some problem when i install XCrySDen .1.5.53.tar.gz,i am using Ubuntu 12.04 system, problems as following? who can help me ? thanks a lot #------------------------------# # # # Compiling XCRYSDEN C-code # # # #------------------------------# cd C; make "TOPDIR=/home/kandy/xcrysden-1.5.53" compile make[1]: Entering directory `/home/kandy/xcrysden-1.5.53/C' make TOPDIR=/home/kandy/xcrysden-1.5.53 make[2]: Entering directory `/home/kandy/xcrysden-1.5.53/C' gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_FONTS -I/usr/include/tcl8.5 -c detnsplit.c gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall -DUSE_FONTS -I/usr/include/tcl8.5 -c xcAppInit.c In file included from xcAppInit.c:23:0: togl.h:48:19: fatal error: tcl.h: No such file or directory compilation terminated. make[2]: *** [xcAppInit.o] Error 1 make[2]: Leaving directory `/home/kandy/xcrysden-1.5.53/C' make[1]: *** [compile] Error 2 make[1]: Leaving directory `/home/kandy/xcrysden-1.5.53/C' make: *** [src-C] Error 2 another problem, when ,./xcrysden ./xcrysden: 229: ./xcrysden: /home/kandy/xcrysden-1.5.53/bin/xcrys: not found 2012/5/15 > Send XCrySDen mailing list submissions to > xcrysden at democritos.it > > To subscribe or unsubscribe via the World Wide Web, visit > http://www.democritos.it/mailman/listinfo/xcrysden > or, via email, send a message with subject or body 'help' to > xcrysden-request at democritos.it > > You can reach the person managing the list at > xcrysden-owner at democritos.it > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of XCrySDen digest..." > > > Today's Topics: > > 1. Re: Bug report: Calculation of 3D grids (Tone Kokalj) > 2. Re: Bug report: Calculation of 3D grids (Georg Eickerling) > 3. Re: Bug report: Calculation of 3D grids (Tone Kokalj) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 14 May 2012 13:00:28 +0200 > From: Tone Kokalj > Subject: Re: [xcrysden] Bug report: Calculation of 3D grids > To: xcrysden at democritos.it > Message-ID: <1336993228.5739.15.camel at catalyst.ijs.si> > Content-Type: text/plain; charset="UTF-8" > > On Wed, 2012-05-09 at 17:15 +0200, Georg Eickerling wrote: > > Dear Xcrysden users, > > > > I am mainly using Xcrysden's interface to WIEN2K and here the ability to > > create 3D grid files of the electron density. > > > > I want to report a bug which might result in quite a waste of > > computational time (LINUX Version tested only): > > > > .... > > > > My current workaround: > > > > In : > > xcrysden-1.#.##-bin-semishared/Tcl/wnRunWIEN.tcl > > > > delete the command: > > grab $mw > > in lines 43 and 62 > > > > I hope this is of interest also for other users > > Thanks for you report! > > Could you check if instead of deleting these lines, the following would > also work: > > catch { grab $mw } > > Would this work, it would be preferred over deleting. > > Regards, > -- > Anton Kokalj > J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia > (tel: +386-1-477-3523 // fax:+386-1-477-3822) > > Please, if possible, avoid sending me Word or PowerPoint attachments. > See: http://www.gnu.org/philosophy/no-word-attachments.html > > > > ------------------------------ > > Message: 2 > Date: Mon, 14 May 2012 13:22:01 +0200 > From: Georg Eickerling > Subject: Re: [xcrysden] Bug report: Calculation of 3D grids > To: xcrysden at democritos.it > Message-ID: <4FB0EAD9.5090000 at physik.uni-augsburg.de> > Content-Type: text/plain; charset=ISO-8859-1 > > > > > Could you check if instead of deleting these lines, the following would > > also work: > > > > catch { grab $mw } > > > > Would this work, it would be preferred over deleting. > > > > Yes, this also works for me. So I'll use this fix instead of deleting > the "grab"s. > > > regards > > Georg Eickerling > > > > ------------------------------ > > Message: 3 > Date: Mon, 14 May 2012 13:26:03 +0200 > From: Tone Kokalj > Subject: Re: [xcrysden] Bug report: Calculation of 3D grids > To: xcrysden at democritos.it > Message-ID: <1336994763.13388.8.camel at catalyst.ijs.si> > Content-Type: text/plain; charset="UTF-8" > > On Mon, 2012-05-14 at 13:22 +0200, Georg Eickerling wrote: > > > > > > Could you check if instead of deleting these lines, the following would > > > also work: > > > > > > catch { grab $mw } > > > > > > Would this work, it would be preferred over deleting. > > > > > > > Yes, this also works for me. So I'll use this fix instead of deleting > > the "grab"s. > > Good! I will change the code accordingly. > > Regards, > -- > Anton Kokalj > J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia > (tel: +386-1-477-3523 // fax:+386-1-477-3822) > > Please, if possible, avoid sending me Word or PowerPoint attachments. > See: http://www.gnu.org/philosophy/no-word-attachments.html > > > > ------------------------------ > > _______________________________________________ > XCrySDen mailing list > XCrySDen at democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > > > End of XCrySDen Digest, Vol 52, Issue 5 > *************************************** > -- ?????????? -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20120519/22248ddf/attachment.htm From elenamltn at gmail.com Mon May 21 16:04:04 2012 From: elenamltn at gmail.com (Elena Molteni) Date: Mon, 21 May 2012 16:04:04 +0200 Subject: [xcrysden] XCrysDen installation on windows (with cygwin) Message-ID: Hi all, i'm trying to install XCrysDen on my laptop, under windowsXP with cygwin. From rourke at gmail.com Tue May 29 18:52:36 2012 From: rourke at gmail.com (Patrick Rourke) Date: Tue, 29 May 2012 17:52:36 +0100 Subject: [xcrysden] New version of SKEAF extremal area program Message-ID: Dear XCrysDen users, This is an update to let you know that a new version (v1.2.0 r124) of the SKEAF extremal area code for extracting quantum oscillation information from calculated Fermi surfaces in the XCrysDen BXSF format has been released. The new version contains several important improvements and bug fixes (see the README-forSKEAF file for details), so users are highly recommended to upgrade to this version. As before, the SKEAF source code and program instructions can be downloaded from the WIEN2k "Unsupported software goodies" page ( http://www.wien2k.at/reg_user/unsupported/ ). The algorithm underlying the code is described in P.M.C. Rourke and S.R. Julian, Computer Physics Communications 183, 324 (2012) (also available on the arXiv at http://arxiv.org/abs/0803.1895 ). Best regards, Patrick Rourke From lorenzo.paulatto at impmc.upmc.fr Wed May 30 14:27:28 2012 From: lorenzo.paulatto at impmc.upmc.fr (Lorenzo Paulatto) Date: Wed, 30 May 2012 14:27:28 +0200 Subject: [xcrysden] xcrysden 1.5.25 cannot create animated gifs/mpeg Message-ID: Dear xcrysden users, I cannot generate animations (be them gifs or mpegs) with xcrysden 1.5.25 (-bin-shared) on linux (suse 12.1). The problem is that the temporary image files (anim_XXXX.ppm) are not created. I've tried to play a bit with the options but with no success. I have also tried 1.5.23, which gives the same problem. I have also tried with the old 1.4.1 version which works correctly: after a bogus whirlgif program is specified it creates the temporary images, which I can them transform in a video. Unfortunately it runs out of memory after ~150 frames and need to be restarted, which makes the process a bit tedious. A couple of my colleagues are having the same problem, on different linux systems, but I think I helped them install XCD, so if it is a setup problem it may still be my fault. I've tried to compare the code of Tcl/gifAnim.tcl of the 2 versions, but I fail to see what is going wrong (nor what is working, for what matters) I was wondering if any of you already met the problem and found a fix, or if Tone could have a qualified look at the issue. many thanks -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20120530/eb601181/attachment.htm From tone.kokalj at ijs.si Wed May 30 15:05:55 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Wed, 30 May 2012 15:05:55 +0200 Subject: [xcrysden] XCrySDen Digest, Vol 52, Issue 5 In-Reply-To: References: Message-ID: <1338383155.29468.4.camel@catalyst.ijs.si> On Sat, 2012-05-19 at 09:33 +0800, cj gong wrote: > i am sorry to bother all of you, now i meet some problem when i > install XCrySDen .1.5.53.tar.gz,i am using Ubuntu 12.04 system, > problems as following? who can help me ? thanks a lot > > #------------------------------# > # # > # Compiling XCRYSDEN C-code # > # # > #------------------------------# > > cd C; make "TOPDIR=/home/kandy/xcrysden-1.5.53" compile > make[1]: Entering directory `/home/kandy/xcrysden-1.5.53/C' > make TOPDIR=/home/kandy/xcrysden-1.5.53 > make[2]: Entering directory `/home/kandy/xcrysden-1.5.53/C' > gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall > -DUSE_FONTS -I/usr/include/tcl8.5 -c detnsplit.c > gcc -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall > -DUSE_FONTS -I/usr/include/tcl8.5 -c xcAppInit.c > In file included from xcAppInit.c:23:0: > togl.h:48:19: fatal error: tcl.h: No such file or directory The "tcl.h" header files wasn't found by the compiler, which means that either you do not have the development version of tcl/tk libraries or the Make.sys is not set appropriately. You may consider to use the compiled package instead, as to avoid the compilation step. Please do not reply to digest in the future, but always specify the subject of the email explicitly in the subject line! Regards, -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From lorenzo.paulatto at impmc.upmc.fr Wed May 30 15:36:13 2012 From: lorenzo.paulatto at impmc.upmc.fr (Lorenzo Paulatto) Date: Wed, 30 May 2012 15:36:13 +0200 Subject: [xcrysden] xcrysden 1.5.25 cannot create animated gifs/mpeg In-Reply-To: References: Message-ID: I forgot to mention that the "print" option works perfectly in every version of the code On Wed, May 30, 2012 at 2:27 PM, Lorenzo Paulatto < lorenzo.paulatto at impmc.upmc.fr> wrote: > Dear xcrysden users, > I cannot generate animations (be them gifs or mpegs) with xcrysden 1.5.25 > (-bin-shared) on linux (suse 12.1). The problem is that the temporary image > files (anim_XXXX.ppm) are not created. I've tried to play a bit with the > options but with no success. > > I have also tried 1.5.23, which gives the same problem. > I have also tried with the old 1.4.1 version which works correctly: after > a bogus whirlgif program is specified it creates the temporary images, > which I can them transform in a video. Unfortunately it runs out of memory > after ~150 frames and need to be restarted, which makes the process a bit > tedious. > > A couple of my colleagues are having the same problem, on different linux > systems, but I think I helped them install XCD, so if it is a setup problem > it may still be my fault. > > I've tried to compare the code of Tcl/gifAnim.tcl of the 2 versions, but I > fail to see what is going wrong (nor what is working, for what matters) > > I was wondering if any of you already met the problem and found a fix, or > if Tone could have a qualified look at the issue. > > many thanks > > > -- > Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > > -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20120530/6d063380/attachment.htm From tone.kokalj at ijs.si Wed May 30 15:45:13 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Wed, 30 May 2012 15:45:13 +0200 Subject: [xcrysden] XCrysDen installation on windows (with cygwin) In-Reply-To: References: Message-ID: <1338385513.29468.12.camel@catalyst.ijs.si> On Mon, 2012-05-21 at 16:04 +0200, Elena Molteni wrote: > Hi all, > i'm trying to install XCrysDen on my laptop, under windowsXP with cygwin. > > From a cygwin terminal, first i untar the xcrysden-1.5.53-bin-cygwin > directory inside my cygwin directory, i.e. in /cygwin/home/Utente, > then, in ~/xcrysden-1.5.53-bin-cygwin/scripts, i run ./xcConfigure.sh. > Finally i source .bashrc. > > Then, giving the command xcrysden, i get the following message: > > /home/Utente/xcrysden-1.5.53-bin-cygwin/xcrysden: > line 230: /home/Utente/xcrysden-1.5.53-bin-cygwin/bin/xcrys: Bad address It is difficult to say what is the cause. By googling, I realized there are many reports about various "Bad address" errors in cygwin. On the other hand, it may signal a memory bug in the xcrysden code. Or perhaps it can be related to the problem reported recently by Danilo Addari, see http://www.democritos.it/pipermail/xcrysden/2012-May/001179.html Regards, Tone -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From tone.kokalj at ijs.si Wed May 30 15:54:11 2012 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Wed, 30 May 2012 15:54:11 +0200 Subject: [xcrysden] xcrysden 1.5.25 cannot create animated gifs/mpeg In-Reply-To: References: Message-ID: <1338386051.29468.20.camel@catalyst.ijs.si> On Wed, 2012-05-30 at 14:27 +0200, Lorenzo Paulatto wrote: > Dear xcrysden users, > I cannot generate animations (be them gifs or mpegs) with xcrysden > 1.5.25 (-bin-shared) on linux (suse 12.1). The problem is that the > temporary image files (anim_XXXX.ppm) are not created. Indeed, there was a problem with in 1.5.2x version. But this issue should be fixed in 1.5.5x version. (at least it works for me) Could you try the new 1.5.53 version instead and let me know if you still experience the same kind of problem. Regards, Tone -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html From lorenzo.paulatto at impmc.upmc.fr Wed May 30 18:22:39 2012 From: lorenzo.paulatto at impmc.upmc.fr (Lorenzo Paulatto) Date: Wed, 30 May 2012 18:22:39 +0200 Subject: [xcrysden] xcrysden 1.5.25 cannot create animated gifs/mpeg In-Reply-To: <1338386051.29468.20.camel@catalyst.ijs.si> References: <1338386051.29468.20.camel@catalyst.ijs.si> Message-ID: > Could you try the new 1.5.53 version instead and let me know if you > still experience the same kind of problem. I'm sorry Tone, I did not see a newer version was available, it does indeed work with version 1.5.53 bests -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20120530/378c446e/attachment.htm