[xcrysden] Xcrysdens fails on Mac Lion
arik landau
alandau at technion.ac.il
Mon Aug 5 09:05:53 CEST 2013
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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