From ora at georgetown.edu  Fri Aug  2 20:52:48 2013
From: ora at georgetown.edu (Oliver Albertini)
Date: Fri, 2 Aug 2013 11:52:48 -0700
Subject: [xcrysden] has anyone compiled xcrysden on AIX ?
Message-ID: <CALi93vx0OYsKaf_a7=KnEvL=uE39kk3TKYGZ+22orqxHeWN5pw@mail.gmail.com>

Dear Tone,

Thanks for your response and for creating an awesome program.

The AIX server in question is not a 'super' computer, it is a single node
with 16 processors which I use to run WIEN2k. I use it remotely.

I do have xcrysden installed locally and have been using it quite a bit to
create 2d density plots. I run lapw5 on the server and scp the *.rho,
*.struct and *.output5 files to my local computer. However, now I need to
make 3d plots, and from what I can tell, xcrysden runs 'x lapw5' for a
number of 'slices', then puts them together to make the 3d plot.

So what do I need to "calculate and render density" locally? Do I need to
have lapw5 locally?

Sincerely,

Oliver Albertini
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From sarayzdn at gmail.com  Sat Aug  3 12:31:07 2013
From: sarayzdn at gmail.com (Sara Yzdn)
Date: Sat, 3 Aug 2013 15:01:07 +0430
Subject: [xcrysden] Number of Units Drawn
Message-ID: <CAAAo6Er9PYK3S=vS9FJ=fDHGNOoC8WeM_iEfzHRFMpzhkPp0RQ@mail.gmail.com>

Hi,

When, I open the .xyz output of my optimization which is the optimized
coordinates of a hexagonal structure, when I want to open "Number of Units
Drawn" it is not active!!!

Is there a way to generate the coordinates of a nanostructure by XCrysden?

Regards,
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From dstrubbe at civet.berkeley.edu  Sat Aug  3 21:41:57 2013
From: dstrubbe at civet.berkeley.edu (David Strubbe)
Date: Sat, 3 Aug 2013 15:41:57 -0400
Subject: [xcrysden] Number of Units Drawn
In-Reply-To: <CAAAo6Er9PYK3S=vS9FJ=fDHGNOoC8WeM_iEfzHRFMpzhkPp0RQ@mail.gmail.com>
References: <CAAAo6Er9PYK3S=vS9FJ=fDHGNOoC8WeM_iEfzHRFMpzhkPp0RQ@mail.gmail.com>
Message-ID: <CAENVOuU1wotbOEgygU=BP5TNJnDGsm1LQuHgMNKOLNUriSmtNQ@mail.gmail.com>

You should use an XSF file. XYZ does not have information about the lattice.

David

On Sat, Aug 3, 2013 at 6:31 AM, Sara Yzdn <sarayzdn at gmail.com> wrote:

> Hi,
>
> When, I open the .xyz output of my optimization which is the optimized
> coordinates of a hexagonal structure, when I want to open "Number of Units
> Drawn" it is not active!!!
>
> Is there a way to generate the coordinates of a nanostructure by XCrysden?
>
> Regards,
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
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From alandau at technion.ac.il  Mon Aug  5 09:05:53 2013
From: alandau at technion.ac.il (arik landau)
Date: Mon, 5 Aug 2013 10:05:53 +0300
Subject: [xcrysden] Xcrysdens fails on Mac Lion
In-Reply-To: <CANiQCOStwdvDg=0n+dznxtD5DCj1M7btovVHHkkgLyxLgbfr1A@mail.gmail.com>
References: <CANiQCOStwdvDg=0n+dznxtD5DCj1M7btovVHHkkgLyxLgbfr1A@mail.gmail.com>
Message-ID: <CANiQCOSbOcKKS1gSdAPt063_8kvsp+sMsaHUSw1Q7mfOYxjEvg@mail.gmail.com>

Hello,

I am trying to run XCrysDens on my Mac (Lion) but if fails to run.
I installed the *Source package: *
xcrysden-1.5.53.tar.gz<http://www.xcrysden.org/download/xcrysden-1.5.53.tar.gz>

> and used FFTW 3.3.3 - Version 3.3.3 is the latest stable release of FFTW

It is seemed to compile correctly, see details below.
When I execute ./xcrysdens it looks like it opens but then I get a
Segmentation fault, see below.

Any ideas?

Many thanks,

Arik

=======================

> >./xcrysdens
> +-----------------------------------------------------------------+
> |*****************************************************************|
> |*                                                               *|
> |*  XCrySDen -- (X-Window) CRYstalline Structures and DENsities  *|
> |*               =         ===         =              ===        *|
> |*---------------------------------------------------------------*|
> |*                                                               *|
> |*    Anton Kokalj (tone.kokalj at ijs.si)                          *|
> |*    Jozef Stefan Institute, Ljubljana, Slovenia                *|
> |*                                                               *|
> |*    Copyright (c) 1996--2012 by Anton Kokalj                   *|
> |*                                                               *|
> |*****************************************************************|
> +-----------------------------------------------------------------+
>
>   Version: 1.5.53
>
>   Please report bugs to: tone.kokalj at ijs.si
>
>
>   TERMS OF USE:
>   -------------
>   XCRYSDEN is released under the GNU General Public License.
>
>   Whenever graphics generated by XCRYSDEN are used in scientific
>   publications, it shall be greatly appreciated to include an explicit
>   reference. The preferred form is the following:
>
>   [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
>         Code available from http://www.xcrysden.org/.
>
> XCRYSDEN_TOPDIR=/usr/local/share/xcrysden-1.5.53
> XCRYSDEN_SCRATCH=/Users/arielandau/scratch/xcrys
>
> /usr/local/share/xcrysden-1.5.53/xcrysden: line 233: 83426 Segmentation
> fault: 11  ${XCRYSDEN_XCRYS_DIR}/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl
> $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH "$@" > /dev/null
>
> =================

>
> Compilation details:
>
> the "make all" yields at the end:
>
> #------------------------------#
> #                              #
> #   Compiling XCRYSDEN F-code  #
> #                              #
> #------------------------------#
>
> cd F/SRC_nn; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> if test -f nn.exe ; then cp nn.exe ../../bin ; \
> elif test -f nn     ; then cp nn     ../../bin ; fi
> cd F/SRC_spaghetti; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> make[1]: Nothing to be done for `default'.
> cd F; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> cd SRC_spaghetti; make
> make[2]: Nothing to be done for `default'.
> for prog in gengeom calplane atomlab recvec str2xcr fracCoor multislab
> savestruct ftnunit kPath pwKPath fhi_inpini2ftn34 fhi_coord2xcr
> wn_readbands wn_readbakgen pwi2xsf pwi2xsf_old fsReadBXSF cube2xsf; do \
> if test -x $prog.exe ; then cp $prog.exe ../bin ; \
>  elif test -x $prog ; then cp $prog ../bin ; fi; \
> done
>
> #------------------------------#
> #                              #
> #  Managing XCRYSDEN Tcl-code  #
> #                              #
> #------------------------------#
>
> cd Tcl; make
> XCRYSDEN_TOPDIR=/Applications/xcrysden-1.5.53/Tcl/..; \
>  export XCRYSDEN_TOPDIR;
> cd Tcl/fs; make
> make[1]: `tclIndex' is up to date.
>
> ========================
> and after I do "sudo make install" i get:
>
> if test -d external/src ; then \
> cd external/src; make  "TOPDIR=/Applications/xcrysden-1.5.53" bwidget; \
>  fi
> if test ! -d /Applications/xcrysden-1.5.53/external/lib; then \
> mkdir /Applications/xcrysden-1.5.53/external/lib; \
>  fi
> if test -f bwidget-1.9.5.tar.gz; then \
> if test ! -d /Applications/xcrysden-1.5.53/external/lib/bwidget-1.9.5;
> then \
>  cd /Applications/xcrysden-1.5.53/external/lib; tar zxvf
> /Applications/xcrysden-1.5.53/external/src/bwidget-1.9.5.tar.gz; \
> fi; \
>  fi
> if test ! -d bin ; then mkdir bin; fi
>
> #------------------------------#
> #                              #
> #   Compiling XCRYSDEN C-code  #
> #                              #
> #------------------------------#
>
> cd C; make "TOPDIR=/Applications/xcrysden-1.5.53" compile
> make  TOPDIR=/Applications/xcrysden-1.5.53
> cp xcrys   ../bin
> cp xctclsh ../bin
> cp xsf2xsf ../bin
>
> #------------------------------#
> #                              #
> #   Compiling XCRYSDEN F-code  #
> #                              #
> #------------------------------#
>
> cd F/SRC_nn; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> if test -f nn.exe ; then cp nn.exe ../../bin ; \
> elif test -f nn     ; then cp nn     ../../bin ; fi
> cd F/SRC_spaghetti; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> make[1]: Nothing to be done for `default'.
> cd F; make  "TOPDIR=/Applications/xcrysden-1.5.53"
> cd SRC_spaghetti; make
> make[2]: Nothing to be done for `default'.
> for prog in gengeom calplane atomlab recvec str2xcr fracCoor multislab
> savestruct ftnunit kPath pwKPath fhi_inpini2ftn34 fhi_coord2xcr
> wn_readbands wn_readbakgen pwi2xsf pwi2xsf_old fsReadBXSF cube2xsf; do \
> if test -x $prog.exe ; then cp $prog.exe ../bin ; \
>  elif test -x $prog ; then cp $prog ../bin ; fi; \
> done
>
> #------------------------------#
> #                              #
> #  Managing XCRYSDEN Tcl-code  #
> #                              #
> #------------------------------#
>
> cd Tcl; make
> XCRYSDEN_TOPDIR=/Applications/xcrysden-1.5.53/Tcl/..; \
>  export XCRYSDEN_TOPDIR;
> cd Tcl/fs; make
> make[1]: `tclIndex' is up to date.
>
> #-----
> #
> #   Installing XCRYSDEN to: /usr/local
> #
> #-----
>
> install -m755 -d /usr/local/share/xcrysden-1.5.53
> cp -a usage version xcrysden /usr/local/share/xcrysden-1.5.53
> \
> for subdir in Awk examples external/lib/bwidget-1.9.5 images scripts Tcl
> util; do \
> if test -d $subdir; then \
>  install -m755 -d /usr/local/share/xcrysden-1.5.53/$subdir; \
> cp -a   $subdir/* /usr/local/share/xcrysden-1.5.53/$subdir; \
>  fi; \
> done
> \
> install -m755 -d /usr/local/share/man/man1
> install -m644 docs/xcrysden.1 docs/pwi2xsf.1 docs/pwo2xsf.1 docs/ptable.1
> docs/unitconv.1 /usr/local/share/man/man1/
> gzip -f /usr/local/share/man/man1/xcrysden.1
> /usr/local/share/man/man1/pwi2xsf.1 /usr/local/share/man/man1/pwo2xsf.1
> /usr/local/share/man/man1/ptable.1 /usr/local/share/man/man1/unitconv.1
> \
> install -m755 -d /usr/local/lib/xcrysden-1.5.53
> install -m755 bin/*  /usr/local/lib/xcrysden-1.5.53/
> \
> prefix=/usr/local xcrysden=xcrysden-1.5.53 sh sys_utils/wrappers.sh
> if test ! -d /usr/local/bin; then install -m755 -d /usr/local/bin; fi
> for prog in xcrysden pwi2xsf pwo2xsf ptable unitconv; do \
> install -m755 $prog.wrapper   /usr/local/bin/$prog; \
>  done
>
> ============================================
>
>
>
>
> --
> *Arik Landau, Ph.D.*
> *Computational Chemistry *
> Schulich Faculty of Chemistry
> Technion-Israel Institute of Technology
> Haifa 32000 Israel
> Tel: 972-4-829-2689
> www: hogwarts.usc.edu/~*arik*/
>



-- 
*Arik Landau, Ph.D.*
*Computational Chemistry *
Schulich Faculty of Chemistry
Technion-Israel Institute of Technology
Haifa 32000 Israel
Tel: 972-4-829-2689
www: hogwarts.usc.edu/~*arik*/
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From tone.kokalj at ijs.si  Wed Aug  7 18:04:14 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Wed, 07 Aug 2013 18:04:14 +0200
Subject: [xcrysden] has anyone compiled xcrysden on AIX ?
In-Reply-To: <CALi93vx0OYsKaf_a7=KnEvL=uE39kk3TKYGZ+22orqxHeWN5pw@mail.gmail.com>
References: <CALi93vx0OYsKaf_a7=KnEvL=uE39kk3TKYGZ+22orqxHeWN5pw@mail.gmail.com>
Message-ID: <1375891454.20143.8.camel@catalyst.ijs.si>

On Fri, 2013-08-02 at 11:52 -0700, Oliver Albertini wrote:
> Dear Tone, 
> 
> 
> Thanks for your response and for creating an awesome program. 
> 
> 
> The AIX server in question is not a 'super' computer, it is a single
> node with 16 processors which I use to run WIEN2k. I use it remotely. 
> 
> 
> I do have xcrysden installed locally and have been using it quite a
> bit to create 2d density plots. I run lapw5 on the server and scp the
> *.rho, *.struct and *.output5 files to my local computer. However, now
> I need to make 3d plots, and from what I can tell, xcrysden runs 'x
> lapw5' for a number of 'slices', then puts them together to make the
> 3d plot. 
> 
> 
> So what do I need to "calculate and render density" locally? Do I need
> to have lapw5 locally?

If you have the Wien2K installed locally, try to cd via the NFS to the
pertinent directory on your AIX machine and start xcrysden therein ...

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  Wed Aug  7 18:19:48 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Wed, 07 Aug 2013 18:19:48 +0200
Subject: [xcrysden] Xcrysdens fails on Mac Lion
In-Reply-To: <CANiQCOSbOcKKS1gSdAPt063_8kvsp+sMsaHUSw1Q7mfOYxjEvg@mail.gmail.com>
References: <CANiQCOStwdvDg=0n+dznxtD5DCj1M7btovVHHkkgLyxLgbfr1A@mail.gmail.com>
	<CANiQCOSbOcKKS1gSdAPt063_8kvsp+sMsaHUSw1Q7mfOYxjEvg@mail.gmail.com>
Message-ID: <1375892388.8595.5.camel@catalyst.ijs.si>

On Mon, 2013-08-05 at 10:05 +0300, arik landau wrote:
> Hello,
> 
> I am trying to run XCrysDens on my Mac (Lion) but if fails to run.
> I installed the Source package:  xcrysden-1.5.53.tar.gz

Have you tried to google for some info about the issue?

http://lmgtfy.com/?q=xcrysden+mac+lion

If that doesn't help, you may try to read the system/Make.macosx-x11.README 
or perhaps to use the fink version of xcrysden.

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 ora at georgetown.edu  Wed Aug  7 20:10:40 2013
From: ora at georgetown.edu (Oliver Albertini)
Date: Wed, 7 Aug 2013 11:10:40 -0700
Subject: [xcrysden] has anyone compiled xcrysden on AIX ?
In-Reply-To: <1375891454.20143.8.camel@catalyst.ijs.si>
References: <CALi93vx0OYsKaf_a7=KnEvL=uE39kk3TKYGZ+22orqxHeWN5pw@mail.gmail.com>
	<1375891454.20143.8.camel@catalyst.ijs.si>
Message-ID: <CALi93vz8VjsiHzP1Eo0dk=AikBcey+CUWGnso47f7jzihGeOcA@mail.gmail.com>

Dear Tone,

Part of the problem is that I don't have the W2k executables installed
locally. However, the latest release (13.1) includes a python script
prepare_xsf_lapw which can calculate the slices and build a *.xsf  file.
Since I am still using 12.1, it required me to compile auxil.f and
str2xcr.f from xcrysden into an executable and place it into my path. I am
under the impression that this would be done automatically with version
13.1. In any case, it works quite well.

Thanks,

Oliver


On Wed, Aug 7, 2013 at 9:04 AM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Fri, 2013-08-02 at 11:52 -0700, Oliver Albertini wrote:
> > Dear Tone,
> >
> >
> > Thanks for your response and for creating an awesome program.
> >
> >
> > The AIX server in question is not a 'super' computer, it is a single
> > node with 16 processors which I use to run WIEN2k. I use it remotely.
> >
> >
> > I do have xcrysden installed locally and have been using it quite a
> > bit to create 2d density plots. I run lapw5 on the server and scp the
> > *.rho, *.struct and *.output5 files to my local computer. However, now
> > I need to make 3d plots, and from what I can tell, xcrysden runs 'x
> > lapw5' for a number of 'slices', then puts them together to make the
> > 3d plot.
> >
> >
> > So what do I need to "calculate and render density" locally? Do I need
> > to have lapw5 locally?
>
> If you have the Wien2K installed locally, try to cd via the NFS to the
> pertinent directory on your AIX machine and start xcrysden therein ...
>
> 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
>
>
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From alandau at technion.ac.il  Sun Aug 11 10:15:39 2013
From: alandau at technion.ac.il (arik landau)
Date: Sun, 11 Aug 2013 11:15:39 +0300
Subject: [xcrysden] Xcrysdens fails on Mac Lion
In-Reply-To: <1375892388.8595.5.camel@catalyst.ijs.si>
References: <CANiQCOStwdvDg=0n+dznxtD5DCj1M7btovVHHkkgLyxLgbfr1A@mail.gmail.com>
	<CANiQCOSbOcKKS1gSdAPt063_8kvsp+sMsaHUSw1Q7mfOYxjEvg@mail.gmail.com>
	<1375892388.8595.5.camel@catalyst.ijs.si>
Message-ID: <CANiQCOQmp_UBAEM=mOzPdnFfeXLLY6AJR+J=6drNXLKi-iUB-Q@mail.gmail.com>

Installed fink, and Xcrysden works ;-)

On Wed, Aug 7, 2013 at 7:19 PM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Mon, 2013-08-05 at 10:05 +0300, arik landau wrote:
> > Hello,
> >
> > I am trying to run XCrysDens on my Mac (Lion) but if fails to run.
> > I installed the Source package:  xcrysden-1.5.53.tar.gz
>
> Have you tried to google for some info about the issue?
>
> http://lmgtfy.com/?q=xcrysden+mac+lion
>
> If that doesn't help, you may try to read the system/Make.macosx-x11.README
> or perhaps to use the fink version of xcrysden.
>
> 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
>



-- 
*Arik Landau, Ph.D.*
*Computational Chemistry *
Schulich Faculty of Chemistry
Technion-Israel Institute of Technology
Haifa 32000 Israel
Tel: 972-4-829-2689
www: hogwarts.usc.edu/~*arik*/
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From member at linkedin.com  Sun Aug 11 21:05:07 2013
From: member at linkedin.com (baaouague khaled via LinkedIn)
Date: Sun, 11 Aug 2013 19:05:07 +0000 (UTC)
Subject: [xcrysden] =?utf-8?q?Fa=C3=A7a_parte_da_minha_rede_no_LinkedIn=2E?=
Message-ID: <1008236851.68581733.1376247907790.JavaMail.app@ela4-app0941.prod>

LinkedIn
------------




    baaouague khaled solicitou sua adi??o como uma conex?o no LinkedIn:
  

------------------------------------------

Eu gostaria de adicion?-lo ? minha rede profissional no LinkedIn.

Aceitar convite de baaouague khaled
http://www.linkedin.com/e/-fe5rcs-hk8mgxwy-3o/V2kbc-S-ecaYaqU8y2MQlJBQAcaYZU7r_FU/blk/I444431722_125/e39SrCAJoS5vrCAJoyRJtCVFnSRJrScJr6RBfnhv9ClRsDgZp6lQs6lzoQ5AomZIpn8_dj8NnP8OdP4Pd3gQd4ALjkB2ciR3iQcLdzsNc3wRcPASdj4LrCBxbOYWrSlI/eml-comm_invm-b-in_ac-inv28/?hs=false&tok=1C2oT9MB5V_RQ1

Visualizar perfil de baaouague khaled
http://www.linkedin.com/e/-fe5rcs-hk8mgxwy-3o/rso/197724472/oED1/name/128644874_I444431722_125/?hs=false&tok=2GFajPDTZV_RQ1
------------------------------------------
Voc? est? recebendo e-mails de convites.


Este e-mail era para Andr? Pereira XCrysden.
Saiba por que isto est? inclu?do: http://www.linkedin.com/e/-fe5rcs-hk8mgxwy-3o/plh/http%3A%2F%2Fhelp%2Elinkedin%2Ecom%2Fapp%2Fanswers%2Fdetail%2Fa_id%2F4788/-GXI/?hs=false&tok=1lVLkAchxV_RQ1

(c) 2012, LinkedIn Corporation. 2029 Stierlin Ct, Mountain View, CA 94043 - EUA.


  
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From tone.kokalj at ijs.si  Mon Aug 12 16:22:32 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 12 Aug 2013 16:22:32 +0200
Subject: [xcrysden] has anyone compiled xcrysden on AIX ?
In-Reply-To: <CALi93vz8VjsiHzP1Eo0dk=AikBcey+CUWGnso47f7jzihGeOcA@mail.gmail.com>
References: <CALi93vx0OYsKaf_a7=KnEvL=uE39kk3TKYGZ+22orqxHeWN5pw@mail.gmail.com>
	<1375891454.20143.8.camel@catalyst.ijs.si>
	<CALi93vz8VjsiHzP1Eo0dk=AikBcey+CUWGnso47f7jzihGeOcA@mail.gmail.com>
Message-ID: <1376317352.13233.6.camel@catalyst.ijs.si>

On Wed, 2013-08-07 at 11:10 -0700, Oliver Albertini wrote:
> Dear Tone, 
> 
> 
> Part of the problem is that I don't have the W2k executables installed
> locally. However, the latest release (13.1) includes a python script
> prepare_xsf_lapw which can calculate the slices and build a *.xsf
> file. Since I am still using 12.1, it required me to compile auxil.f
> and str2xcr.f from xcrysden into an executable and place it into my
> path.

This sounds like you need xcrysden's fortran binaries on your AIX
machine. The compilation of xcrysden's fortran programs should be
straightforward even on AIX:

(i) unpack the xcrysden's source tarball, 
(ii) copy one of system/Make.sys* to Make.sys (e.g., cp system/Make.sys-shared Make.sys), 
(iii) edit Make.sys (i.e. specify the fortran compiler, variable FC)
(iv) run make as:  make src-F

The (iv) will only compile the fortran programs; after compilation they
will be located in bin/ subdirectory.

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 sarayzdn at gmail.com  Sun Aug 18 20:27:16 2013
From: sarayzdn at gmail.com (Sara Yzdn)
Date: Sun, 18 Aug 2013 22:57:16 +0430
Subject: [xcrysden] Trouble with mesa
Message-ID: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>

Hi,

I am compiling xcrysden on fedora 19 x64-86 and I am receiving the
following error:

#-------------------------------------#
#                                     #
#   Downloading external Mesa-library #
#                                     #
#-------------------------------------#

--2013-08-18 22:53:16--
ftp://ftp.freedesktop.org/pub/mesa/7.10.3/MesaLib-7.10.3.tar.gz
           => ?MesaLib-7.10.3.tar.gz?
Resolving ftp.freedesktop.org (ftp.freedesktop.org)... 131.252.210.176
Connecting to ftp.freedesktop.org (ftp.freedesktop.org)|131.252.210.176|:21...
connected.
Logging in as anonymous ... Logged in!
==> SYST ... done.    ==> PWD ... done.
==> TYPE I ... done.  ==> CWD (1) /pub/mesa/7.10.3 ...
No such directory ?pub/mesa/7.10.3?.

make[1]: *** [mesa-traditional] Error 8
make[1]: Leaving directory
`/home/sara/Packages/xcrysden-1.5.53/external/src'
make: *** [mesa] Error 2

That's while all mesa libraries have been installed prior to xcrysden
installation!!!

I appreciate your kind help.
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From max_bert at web.de  Mon Aug 19 11:29:19 2013
From: max_bert at web.de (max_bert at web.de)
Date: Mon, 19 Aug 2013 11:29:19 +0200
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
Message-ID: <0MhDgb-1VODmy0plZ-00MI0T@smtp.web.de>

Hey,

how about using the semi-shared Makefile and using the static MESA
installation? Also you can disable the compilation of MESA.

Greetings 

Am Sun, 18 Aug 2013 22:57:16 +0430
schrieb Sara Yzdn <sarayzdn at gmail.com>:

> Hi,
> 
> I am compiling xcrysden on fedora 19 x64-86 and I am receiving the
> following error:
> 
> #-------------------------------------#
> #                                     #
> #   Downloading external Mesa-library #
> #                                     #
> #-------------------------------------#
> 
> --2013-08-18 22:53:16--
> ftp://ftp.freedesktop.org/pub/mesa/7.10.3/MesaLib-7.10.3.tar.gz
>            => ?MesaLib-7.10.3.tar.gz?
> Resolving ftp.freedesktop.org (ftp.freedesktop.org)... 131.252.210.176
> Connecting to ftp.freedesktop.org
> (ftp.freedesktop.org)|131.252.210.176|:21... connected.
> Logging in as anonymous ... Logged in!
> ==> SYST ... done.    ==> PWD ... done.
> ==> TYPE I ... done.  ==> CWD (1) /pub/mesa/7.10.3 ...
> No such directory ?pub/mesa/7.10.3?.
> 
> make[1]: *** [mesa-traditional] Error 8
> make[1]: Leaving directory
> `/home/sara/Packages/xcrysden-1.5.53/external/src'
> make: *** [mesa] Error 2
> 
> That's while all mesa libraries have been installed prior to xcrysden
> installation!!!
> 
> I appreciate your kind help.


From max_bert at web.de  Mon Aug 19 11:41:38 2013
From: max_bert at web.de (max_bert at web.de)
Date: Mon, 19 Aug 2013 11:41:38 +0200
Subject: [xcrysden] Avoiding xcrysden windows opening while plotting WF
Message-ID: <0MWNHW-1Va0dC3nqs-00Xa4u@smtp.web.de>

Hey,

I have a follow question to one of my earlier postings. I designed with
a colleague a script which is able to parse and print wavefunctions (WF)
of multiple *.xsf files possibly containing each multiple WF.

The script works perfectly however it is rather slow. Therefore I'm now
looking for a possibility to parse the *.xsf files directly, i.e.
without the window of xcrysden opening. I think this part is the most
slowing down one.

Is there any possibility given by xcrysden or is this even impossible
to achieve with the actual code, as it appears to me that xcrysden is
taking window screenshots and converting them afterwards with
ImageMagick? Where is the code "taking the screenshot" located? I was
looking multiple times in print.tcl but possibly rushed over it.

Greetings

From tone.kokalj at ijs.si  Mon Aug 19 12:38:13 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 19 Aug 2013 12:38:13 +0200
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
Message-ID: <1376908693.11253.5.camel@catalyst.ijs.si>

On Sun, 2013-08-18 at 22:57 +0430, Sara Yzdn wrote:
> Hi,
> 
> 
> I am compiling xcrysden on fedora 19 x64-86 and I am receiving the
> following error:
> 
> #-------------------------------------#
> #                                     #
> #   Downloading external Mesa-library #
> #                                     #
> #-------------------------------------#
> 
> --2013-08-18 22:53:16--
> ftp://ftp.freedesktop.org/pub/mesa/7.10.3/MesaLib-7.10.3.tar.gz
>            => ?MesaLib-7.10.3.tar.gz?
> Resolving ftp.freedesktop.org (ftp.freedesktop.org)... 131.252.210.176
> Connecting to ftp.freedesktop.org (ftp.freedesktop.org)|
> 131.252.210.176|:21... connected.
> Logging in as anonymous ... Logged in!
> ==> SYST ... done.    ==> PWD ... done.
> ==> TYPE I ... done.  ==> CWD (1) /pub/mesa/7.10.3 ... 
> No such directory ?pub/mesa/7.10.3?.

The problem is that archive MesaLib-7.10.3.tar.gz was moved to another
location on ftp://ftp.freedesktop.org/pub/mesa

Hence, edit in the xcrysden's root directory the file "make.include" and
replace the line 25:

MESA_URL = ftp://ftp.freedesktop.org/pub/mesa/$(MESA_VER)

with 

MESA_URL = ftp://ftp.freedesktop.org/pub/mesa/older-versions/7.x/$(MESA_VER)


(i.e. the difference is "older-versions/7.x/"). The reason for using the
old 7.x version of Mesa is that, by my experience, it compiles far
easier.

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  Mon Aug 19 12:46:22 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Mon, 19 Aug 2013 12:46:22 +0200
Subject: [xcrysden] Avoiding xcrysden windows opening while plotting WF
In-Reply-To: <0MWNHW-1Va0dC3nqs-00Xa4u@smtp.web.de>
References: <0MWNHW-1Va0dC3nqs-00Xa4u@smtp.web.de>
Message-ID: <1376909182.11253.12.camel@catalyst.ijs.si>

On Mon, 2013-08-19 at 11:41 +0200, max_bert at web.de wrote:
> The script works perfectly however it is rather slow. Therefore I'm now
> looking for a possibility to parse the *.xsf files directly, i.e.
> without the window of xcrysden opening. I think this part is the most
> slowing down one.

This is not correct. Far the slowest part is the parsing of XSF files
(i.e. the WF construction). You may run xcrysden as "xcrysden --quiet",
but that will save only a fraction of a second.

> Is there any possibility given by xcrysden or is this even impossible
> to achieve with the actual code, 

I guess no. 

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 sarayzdn at gmail.com  Tue Aug 20 19:24:32 2013
From: sarayzdn at gmail.com (Sara Yzdn)
Date: Tue, 20 Aug 2013 21:54:32 +0430
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <1376908693.11253.5.camel@catalyst.ijs.si>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
	<1376908693.11253.5.camel@catalyst.ijs.si>
Message-ID: <CAAAo6EpiWGs=VirksQOKbhJr-D6Sk9dpCFsTZViSSO6Fb6hWYA@mail.gmail.com>

Dear Tone,

Thanks for your email.

Recently, the TCL website has been closed to us. However, I have installed
tcl libraries before this happens. Please just let me know how to compile
xcrysden and telling it not to download Tcl-Library from the link provided
by default?

For more details, I am receiving the following error:

#------------------------------------#
#                                    #
#   Downloading external Tcl-library #
#                                    #
#------------------------------------#

--2013-08-20 21:50:07--
http://prdownloads.sourceforge.net/tcl/tcl8.5.11-src.tar.gz
Resolving prdownloads.sourceforge.net (prdownloads.sourceforge.net)...
216.34.181.59
Connecting to prdownloads.sourceforge.net
(prdownloads.sourceforge.net)|216.34.181.59|:80...
connected.
HTTP request sent, awaiting response... 403 Forbidden
2013-08-20 21:50:09 ERROR 403: Forbidden.

make[1]: *** [tcl] Error 8




On Mon, Aug 19, 2013 at 3:08 PM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Sun, 2013-08-18 at 22:57 +0430, Sara Yzdn wrote:
> > Hi,
> >
> >
> > I am compiling xcrysden on fedora 19 x64-86 and I am receiving the
> > following error:
> >
> > #-------------------------------------#
> > #                                     #
> > #   Downloading external Mesa-library #
> > #                                     #
> > #-------------------------------------#
> >
> > --2013-08-18 22:53:16--
> > ftp://ftp.freedesktop.org/pub/mesa/7.10.3/MesaLib-7.10.3.tar.gz
> >            => ?MesaLib-7.10.3.tar.gz?
> > Resolving ftp.freedesktop.org (ftp.freedesktop.org)... 131.252.210.176
> > Connecting to ftp.freedesktop.org (ftp.freedesktop.org)|
> > 131.252.210.176|:21... connected.
> > Logging in as anonymous ... Logged in!
> > ==> SYST ... done.    ==> PWD ... done.
> > ==> TYPE I ... done.  ==> CWD (1) /pub/mesa/7.10.3 ...
> > No such directory ?pub/mesa/7.10.3?.
>
> The problem is that archive MesaLib-7.10.3.tar.gz was moved to another
> location on ftp://ftp.freedesktop.org/pub/mesa
>
> Hence, edit in the xcrysden's root directory the file "make.include" and
> replace the line 25:
>
> MESA_URL = ftp://ftp.freedesktop.org/pub/mesa/$(MESA_VER)
>
> with
>
> MESA_URL =
> ftp://ftp.freedesktop.org/pub/mesa/older-versions/7.x/$(MESA_VER)
>
>
> (i.e. the difference is "older-versions/7.x/"). The reason for using the
> old 7.x version of Mesa is that, by my experience, it compiles far
> easier.
>
> 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
>
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From tone.kokalj at ijs.si  Tue Aug 20 19:54:47 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Tue, 20 Aug 2013 19:54:47 +0200
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <CAAAo6EpiWGs=VirksQOKbhJr-D6Sk9dpCFsTZViSSO6Fb6hWYA@mail.gmail.com>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
	<1376908693.11253.5.camel@catalyst.ijs.si>
	<CAAAo6EpiWGs=VirksQOKbhJr-D6Sk9dpCFsTZViSSO6Fb6hWYA@mail.gmail.com>
Message-ID: <1377021287.11253.25.camel@catalyst.ijs.si>

On Tue, 2013-08-20 at 21:54 +0430, Sara Yzdn wrote:
> Dear Tone,
> 
> 
> Thanks for your email.
> 
> 
> Recently, the TCL website has been closed to us. However, I have
> installed tcl libraries before this happens. Please just let me know
> how to compile xcrysden and telling it not to download Tcl-Library
> from the link provided by default?

Edit the ./Make.sys and specify:

COMPILE_TCLTK    = no

This will prevent the download & compilation of the Tcl/Tk libraries.
But then properly set the TCL_LIB, TK_LIB, TCL_INCDIR, and TK_INCDIR
variables in the Make.sys to point to your installation of Tcl/Tk.


Regards, Tone

PS: It would be much appreciated if you sign your emails (name &
affiliation). I guess this belongs to "good manners"; I find it impolite
not to do so.

-- 
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 sarayzdn at gmail.com  Wed Aug 21 09:40:52 2013
From: sarayzdn at gmail.com (Sara Yzdn)
Date: Wed, 21 Aug 2013 12:10:52 +0430
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <1377021287.11253.25.camel@catalyst.ijs.si>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
	<1376908693.11253.5.camel@catalyst.ijs.si>
	<CAAAo6EpiWGs=VirksQOKbhJr-D6Sk9dpCFsTZViSSO6Fb6hWYA@mail.gmail.com>
	<1377021287.11253.25.camel@catalyst.ijs.si>
Message-ID: <CAAAo6EpgtJ1y064r4J5kZ_FLF-Ho28sM68E+S7USsdznbEBLrQ@mail.gmail.com>

Dear Tone,


I followed your advice and still I get the same error mentioned in my
previous email. Here's how I changed part of make.sys:

COMPILE_TCLTK    = no
TCL_LIB      = /home/sara/Packages/tcl8.5.14/unix/libtclstub8.5.a
TK_LIB       = /home/sara/Packages/tk8.5.14/unix/libtkstub8.5.a
GLU_LIB      = -lGLU
GL_LIB       = -lGL
FFTW3_LIB    = -lfftw3
# this is only used for some testing purposes
#MESCHACH_LIB = -lmeschach

#
# Include directories
#

TCL_INCDIR      = /usr/include/tcl-private
TK_INCDIR       = /usr/include/tk-private
GL_INCDIR       =
FFTW3_INCDIR    =


Regards,
Sara Yazdani

PS. Apologies that I forgot.



On Tue, Aug 20, 2013 at 10:24 PM, Tone Kokalj <tone.kokalj at ijs.si> wrote:

> On Tue, 2013-08-20 at 21:54 +0430, Sara Yzdn wrote:
> > Dear Tone,
> >
> >
> > Thanks for your email.
> >
> >
> > Recently, the TCL website has been closed to us. However, I have
> > installed tcl libraries before this happens. Please just let me know
> > how to compile xcrysden and telling it not to download Tcl-Library
> > from the link provided by default?
>
> Edit the ./Make.sys and specify:
>
> COMPILE_TCLTK    = no
>
> This will prevent the download & compilation of the Tcl/Tk libraries.
> But then properly set the TCL_LIB, TK_LIB, TCL_INCDIR, and TK_INCDIR
> variables in the Make.sys to point to your installation of Tcl/Tk.
>
>
> Regards, Tone
>
> PS: It would be much appreciated if you sign your emails (name &
> affiliation). I guess this belongs to "good manners"; I find it impolite
> not to do so.
>
> --
> 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
>
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From tone.kokalj at ijs.si  Wed Aug 21 09:46:49 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Wed, 21 Aug 2013 09:46:49 +0200
Subject: [xcrysden] Trouble with mesa
In-Reply-To: <CAAAo6EpgtJ1y064r4J5kZ_FLF-Ho28sM68E+S7USsdznbEBLrQ@mail.gmail.com>
References: <CAAAo6EpFzX-3E25zhCbdhKcboSQhpw9N-_9MOxddfeadretPTQ@mail.gmail.com>
	<1376908693.11253.5.camel@catalyst.ijs.si>
	<CAAAo6EpiWGs=VirksQOKbhJr-D6Sk9dpCFsTZViSSO6Fb6hWYA@mail.gmail.com>
	<1377021287.11253.25.camel@catalyst.ijs.si>
	<CAAAo6EpgtJ1y064r4J5kZ_FLF-Ho28sM68E+S7USsdznbEBLrQ@mail.gmail.com>
Message-ID: <1377071209.11253.27.camel@catalyst.ijs.si>

On Wed, 2013-08-21 at 12:10 +0430, Sara Yzdn wrote:
> Dear Tone,
> 
> 
> 
> I followed your advice and still I get the same error mentioned in my
> previous email. 
 
You are right. I forgot to tell you to also unset the TCL_TGZ variable
in make.include, i.e.:

TCL_TGZ =

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 m.boenisch at ifw-dresden.de  Wed Aug 28 10:39:20 2013
From: m.boenisch at ifw-dresden.de (=?iso-8859-1?Q?B=F6nisch=2C_Matthias?=)
Date: Wed, 28 Aug 2013 08:39:20 +0000
Subject: [xcrysden] CygWin and X Server
Message-ID: <3FBF8343565C9F4881F442735DC3E315412D8326@ifwexnode2.ifw-dresden.de>

Hello

I am trying to run XCrysDen on Windows 7 Pro 64 bit SP1 via CygWin and Cygwin/X X Server (Version 1.14.2)

After extracting the tar.gz I ran the
./xcConfigure
script and loaded the profile via
. ~/.bashrc

When I try to start XCrysDen (after launching XServer in advance) it gives me the following output, however no windows opens, and I am back at the command line, see below.

Is there anybody with ideas how to solve this?





mb18 at W32W7-B0902 ~/xcrysden
$ xcrysden

+-----------------------------------------------------------------+
|*****************************************************************|
|*                                                               *|
|*  XCrySDen -- (X-Window) CRYstalline Structures and DENsities  *|
|*               =         ===         =              ===        *|
|*---------------------------------------------------------------*|
|*                                                               *|
|*    Anton Kokalj (tone.kokalj at ijs.si)                          *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia                *|
|*                                                               *|
|*    Copyright (c) 1996--2012 by Anton Kokalj                   *|
|*                                                               *|
|*****************************************************************|
+-----------------------------------------------------------------+

  Version: 1.5.53

  Please report bugs to: tone.kokalj at ijs.si


  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

XCRYSDEN_TOPDIR=/home/mb18/xcrysden
XCRYSDEN_SCRATCH=/home/mb18/xcrys_tmp


mb18 at W32W7-B0902 ~/xcrysden



Regards,
Matthias

--------------------------------------------------------
Matthias B?nisch
Institute for Complex Materials
Leibniz Institute for Solid State and Materials Research (IFW Dresden)
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From tone.kokalj at ijs.si  Thu Aug 29 10:31:57 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Thu, 29 Aug 2013 10:31:57 +0200
Subject: [xcrysden] CygWin and X Server
In-Reply-To: <3FBF8343565C9F4881F442735DC3E315412D8326@ifwexnode2.ifw-dresden.de>
References: <3FBF8343565C9F4881F442735DC3E315412D8326@ifwexnode2.ifw-dresden.de>
Message-ID: <1377765117.4361.20.camel@catalyst.ijs.si>

On Wed, 2013-08-28 at 08:39 +0000, B?nisch, Matthias wrote:

> I am trying to run XCrysDen on Windows 7 Pro 64 bit SP1 via CygWin and
> Cygwin/X X Server (Version 1.14.2)
> When I try to start XCrysDen (after launching XServer in advance) it
> gives me the following output, however no windows opens, and I am back
> at the command line, see below.

So it dies without any error or warning message?
I have no idea what's the reason.

But wait a second, you installed the 1.5.53 verison. The 1.5.53 binary
is available only for 64bit linux. I guess you are using the wrong
package. Try this instead:
http://www.xcrysden.org/download/xc-1.5.18-cygwin-shared.tar.gz

Notice that:

1. there is no need to run xcConfigure again
2. you will need to update the XCRYSDEN_TOPDIR variable in your
~/.bashrc, and then load the new definiton, i.e.: source ~/.bashrc

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 m.boenisch at ifw-dresden.de  Thu Aug 29 11:52:37 2013
From: m.boenisch at ifw-dresden.de (=?utf-8?B?QsO2bmlzY2gsIE1hdHRoaWFz?=)
Date: Thu, 29 Aug 2013 09:52:37 +0000
Subject: [xcrysden] CygWin and X Server
In-Reply-To: <1377765117.4361.20.camel@catalyst.ijs.si>
References: <3FBF8343565C9F4881F442735DC3E315412D8326@ifwexnode2.ifw-dresden.de>
	<1377765117.4361.20.camel@catalyst.ijs.si>
Message-ID: <3FBF8343565C9F4881F442735DC3E315412D844B@ifwexnode2.ifw-dresden.de>

Dear Anton

Thank you for your help! I replaced the 1.5.53 version now with the xc-1.5.18-cygwin-shared.tar.gz version.

Starting XCrysDen with XServer gives me a new error message involving the xcrys.dll:

> XCRYSDEN_TOPDIR=/home/mb18/XCrySDen-1.5.18-bin-shared
> XCRYSDEN_SCRATCH=/home/mb18/xcrys_tmp
>
> Error in startup script: couldn't load file "/home/mb18/XCrySDen-1.5.18-bin-shared/bin/xcrys.dll": Exec format error
>  while executing
> "load $system(TOPDIR)/bin/xcrys.dll"
>    invoked from within
> "if { [file exists $system(TOPDIR)/bin/xcrys.dll] } {
>   load $system(TOPDIR)/bin/xcrys.dll
> }"
>    (file "/home/mb18/XCrySDen-1.5.18-bin-shared/Tcl/xcInit.tcl" line 426)

Do you have any idea?

Best regards
Matthias



-----Urspr?ngliche Nachricht-----
Von: xcrysden-bounces at democritos.it [mailto:xcrysden-bounces at democritos.it] Im Auftrag von Tone Kokalj
Gesendet: Donnerstag, 29. August 2013 10:32
An: xcrysden at democritos.it
Betreff: Re: [xcrysden] CygWin and X Server

On Wed, 2013-08-28 at 08:39 +0000, B?nisch, Matthias wrote:

> I am trying to run XCrysDen on Windows 7 Pro 64 bit SP1 via CygWin and 
> Cygwin/X X Server (Version 1.14.2) When I try to start XCrysDen (after 
> launching XServer in advance) it gives me the following output, 
> however no windows opens, and I am back at the command line, see 
> below.

So it dies without any error or warning message?
I have no idea what's the reason.

But wait a second, you installed the 1.5.53 verison. The 1.5.53 binary is available only for 64bit linux. I guess you are using the wrong package. Try this instead:
http://www.xcrysden.org/download/xc-1.5.18-cygwin-shared.tar.gz

Notice that:

1. there is no need to run xcConfigure again 2. you will need to update the XCRYSDEN_TOPDIR variable in your ~/.bashrc, and then load the new definiton, i.e.: source ~/.bashrc

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 tone.kokalj at ijs.si  Thu Aug 29 12:27:10 2013
From: tone.kokalj at ijs.si (Tone Kokalj)
Date: Thu, 29 Aug 2013 12:27:10 +0200
Subject: [xcrysden] CygWin and X Server
In-Reply-To: <3FBF8343565C9F4881F442735DC3E315412D844B@ifwexnode2.ifw-dresden.de>
References: <3FBF8343565C9F4881F442735DC3E315412D8326@ifwexnode2.ifw-dresden.de>
	<1377765117.4361.20.camel@catalyst.ijs.si>
	<3FBF8343565C9F4881F442735DC3E315412D844B@ifwexnode2.ifw-dresden.de>
Message-ID: <1377772030.4361.47.camel@catalyst.ijs.si>

On Thu, 2013-08-29 at 09:52 +0000, B?nisch, Matthias wrote:
> Dear Anton
> 
> Thank you for your help! I replaced the 1.5.53 version now with the xc-1.5.18-cygwin-shared.tar.gz version.
> 
> Starting XCrysDen with XServer gives me a new error message involving the xcrys.dll:
> 
> > XCRYSDEN_TOPDIR=/home/mb18/XCrySDen-1.5.18-bin-shared
> > XCRYSDEN_SCRATCH=/home/mb18/xcrys_tmp
> >
> > Error in startup script: couldn't load file "/home/mb18/XCrySDen-1.5.18-bin-shared/bin/xcrys.dll": Exec format error
> >  while executing

Unfortunately, there is some incompatibility between your windows and
the windows that was used for xcrysden's compilation.

You may try to compile the sources of 1.5.53, but it will not be
straightforward on cygwin ((untar the tarball, cd into the created
directory, copy the ./system/Make.cygwin file to ./Make.sys, edit it
accordingly and the execute: make xcrysden)).

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