<div dir="ltr"><div style="text-align:justify"><font face="arial, helvetica, verdana, sans-serif" size="3">Hello,</font></div><div style="text-align:justify"><div style="text-align:start"><br class="Apple-interchange-newline">
I am trying to run XCrysDens on my Mac (Lion) but if fails to run.</div><div style="text-align:start">I installed the <i style="font-family:arial,helvetica,verdana,sans-serif;font-size:medium;text-align:justify"><b>Source</b> package: </i><span style="font-family:arial,helvetica,verdana,sans-serif;font-size:medium;text-align:justify"> </span><a href="http://www.xcrysden.org/download/xcrysden-1.5.53.tar.gz" style="color:rgb(0,140,0);font-family:arial,helvetica,verdana,sans-serif;font-size:medium;text-align:justify">xcrysden-1.5.53.tar.gz</a></div>
<div class="gmail_quote" style="text-align:start"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div dir="ltr">
</div></blockquote></div><div style="text-align:start">and used <span style="font-family:helvetica,arial,sans-serif">FFTW 3.3.3 - </span><span style="font-family:Times;font-size:medium">Version 3.3.3 is the latest stable release of FFTW</span></div>
<div style="text-align:start"><br></div><div style="text-align:start">It is seemed to compile correctly, see details below.</div><div style="text-align:start">When I execute ./xcrysdens it looks like it opens but then I get a Segmentation fault, see below.</div>
<div style="text-align:start"><br></div><div style="text-align:start">Any ideas?</div><div style="text-align:start"><br></div><div style="text-align:start">Many thanks,</div><div style="text-align:start"><br></div><div style="text-align:start">
Arik</div></div><div class="gmail_quote"><div> </div><div>======================= </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div></div><div>
>./xcrysdens </div><div><div>+-----------------------------------------------------------------+</div><div>|*****************************************************************|</div>
<div>|* *|</div><div>|* XCrySDen -- (X-Window) CRYstalline Structures and DENsities *|</div><div>|* = === = === *|</div>
<div>|*---------------------------------------------------------------*|</div><div>|* *|</div><div>|* Anton Kokalj (<a href="mailto:tone.kokalj@ijs.si" target="_blank">tone.kokalj@ijs.si</a>) *|</div>
<div>|* Jozef Stefan Institute, Ljubljana, Slovenia *|</div><div>|* *|</div><div>|* Copyright (c) 1996--2012 by Anton Kokalj *|</div>
<div>|* *|</div><div>|*****************************************************************|</div><div>+-----------------------------------------------------------------+</div>
<div><br></div></div><div><div> Version: 1.5.53</div><div><br></div><div> Please report bugs to: <a href="mailto:tone.kokalj@ijs.si" target="_blank">tone.kokalj@ijs.si</a></div><div><br></div><div><br></div><div> TERMS OF USE:</div>
<div>
-------------</div><div> XCRYSDEN is released under the GNU General Public License.</div><div><br></div><div> Whenever graphics generated by XCRYSDEN are used in scientific</div><div> publications, it shall be greatly appreciated to include an explicit</div>
<div> reference. The preferred form is the following:</div><div><br></div><div> [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.</div><div> Code available from <a href="http://www.xcrysden.org/" target="_blank">http://www.xcrysden.org/</a>.</div>
<div><br></div><div>XCRYSDEN_TOPDIR=/usr/local/share/xcrysden-1.5.53</div><div>XCRYSDEN_SCRATCH=/Users/arielandau/scratch/xcrys</div><div><br></div><div>/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</div>
</div><div><br></div></div></blockquote><div>================= </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div></div><div><br></div><div>Compilation details:</div>
<div><br></div><div>the "make all" yields at the end:</div><div><br></div><div><div>#------------------------------#</div><div># #</div>
<div># Compiling XCRYSDEN F-code #</div><div># #</div><div>#------------------------------#</div><div><br></div><div>cd F/SRC_nn; make "TOPDIR=/Applications/xcrysden-1.5.53"</div>
<div>if test -f nn.exe ; then cp nn.exe ../../bin ; \</div><div><span style="white-space:pre-wrap"> </span>elif test -f nn ; then cp nn ../../bin ; fi</div><div>cd F/SRC_spaghetti; make "TOPDIR=/Applications/xcrysden-1.5.53"</div>
<div>make[1]: Nothing to be done for `default'.</div><div>cd F; make "TOPDIR=/Applications/xcrysden-1.5.53"</div><div>cd SRC_spaghetti; make</div><div>make[2]: Nothing to be done for `default'.</div><div>
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 \</div><div><span style="white-space:pre-wrap"> </span>if test -x $prog.exe ; then cp $prog.exe ../bin ; \</div>
<div><span style="white-space:pre-wrap"> </span>elif test -x $prog ; then cp $prog ../bin ; fi; \</div><div><span style="white-space:pre-wrap"> </span>done</div><div><br></div><div>#------------------------------#</div>
<div># #</div><div># Managing XCRYSDEN Tcl-code #</div><div># #</div><div>#------------------------------#</div><div><br></div><div>cd Tcl; make</div><div>XCRYSDEN_TOPDIR=/Applications/xcrysden-1.5.53/Tcl/..; \</div>
<div><span style="white-space:pre-wrap"> </span>export XCRYSDEN_TOPDIR; </div><div>cd Tcl/fs; make</div><div>make[1]: `tclIndex' is up to date.</div><div><br></div><div>========================</div>
<div>and after I do "sudo make install" i get:</div><div><br></div><div><div>if test -d external/src ; then \</div><div><span style="white-space:pre-wrap"> </span>cd external/src; make "TOPDIR=/Applications/xcrysden-1.5.53" bwidget; \</div>
<div><span style="white-space:pre-wrap"> </span>fi</div><div>if test ! -d /Applications/xcrysden-1.5.53/external/lib; then \</div><div><span style="white-space:pre-wrap"> </span>mkdir /Applications/xcrysden-1.5.53/external/lib; \</div>
<div><span style="white-space:pre-wrap"> </span>fi</div><div>if test -f bwidget-1.9.5.tar.gz; then \</div><div><span style="white-space:pre-wrap"> </span>if test ! -d /Applications/xcrysden-1.5.53/external/lib/bwidget-1.9.5; then \</div>
<div><span style="white-space:pre-wrap"> </span>cd /Applications/xcrysden-1.5.53/external/lib; tar zxvf /Applications/xcrysden-1.5.53/external/src/bwidget-1.9.5.tar.gz; \</div><div><span style="white-space:pre-wrap"> </span>fi; \</div>
<div><span style="white-space:pre-wrap"> </span>fi</div><div>if test ! -d bin ; then mkdir bin; fi</div><div><br></div><div>#------------------------------#</div><div># #</div>
<div># Compiling XCRYSDEN C-code #</div><div># #</div><div>#------------------------------#</div><div><br></div><div>cd C; make "TOPDIR=/Applications/xcrysden-1.5.53" compile</div>
<div>make TOPDIR=/Applications/xcrysden-1.5.53</div><div>cp xcrys ../bin</div><div>cp xctclsh ../bin</div><div>cp xsf2xsf ../bin</div><div><br></div><div>#------------------------------#</div><div># #</div>
<div># Compiling XCRYSDEN F-code #</div><div># #</div></div><div><div>#------------------------------#</div><div><br></div><div>cd F/SRC_nn; make "TOPDIR=/Applications/xcrysden-1.5.53"</div>
<div>if test -f nn.exe ; then cp nn.exe ../../bin ; \</div><div><span style="white-space:pre-wrap"> </span>elif test -f nn ; then cp nn ../../bin ; fi</div><div>cd F/SRC_spaghetti; make "TOPDIR=/Applications/xcrysden-1.5.53"</div>
<div>make[1]: Nothing to be done for `default'.</div><div>cd F; make "TOPDIR=/Applications/xcrysden-1.5.53"</div><div>cd SRC_spaghetti; make</div><div>make[2]: Nothing to be done for `default'.</div><div>
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 \</div><div><span style="white-space:pre-wrap"> </span>if test -x $prog.exe ; then cp $prog.exe ../bin ; \</div>
<div><span style="white-space:pre-wrap"> </span>elif test -x $prog ; then cp $prog ../bin ; fi; \</div><div><span style="white-space:pre-wrap"> </span>done</div><div><br></div><div>#------------------------------#</div>
<div># #</div><div># Managing XCRYSDEN Tcl-code #</div><div># #</div><div>#------------------------------#</div><div><br></div><div>cd Tcl; make</div><div>XCRYSDEN_TOPDIR=/Applications/xcrysden-1.5.53/Tcl/..; \</div>
<div><span style="white-space:pre-wrap"> </span>export XCRYSDEN_TOPDIR; </div><div>cd Tcl/fs; make</div><div>make[1]: `tclIndex' is up to date.</div><div><br></div><div>#-----</div><div># </div>
</div><div><div># Installing XCRYSDEN to: /usr/local</div><div># </div><div>#-----</div><div><br></div><div>install -m755 -d /usr/local/share/xcrysden-1.5.53</div><div>cp -a usage version xcrysden /usr/local/share/xcrysden-1.5.53</div>
<div>\</div><div><span style="white-space:pre-wrap"> </span>for subdir in Awk examples external/lib/bwidget-1.9.5 images scripts Tcl util; do \</div><div><span style="white-space:pre-wrap"> </span>if test -d $subdir; then \</div>
<div><span style="white-space:pre-wrap"> </span>install -m755 -d /usr/local/share/xcrysden-1.5.53/$subdir; \</div><div><span style="white-space:pre-wrap"> </span>cp -a $subdir/* /usr/local/share/xcrysden-1.5.53/$subdir; \</div>
<div><span style="white-space:pre-wrap"> </span>fi; \</div><div><span style="white-space:pre-wrap"> </span>done</div><div>\</div><div><span style="white-space:pre-wrap"> </span>install -m755 -d /usr/local/share/man/man1</div>
<div>install -m644 docs/xcrysden.1 docs/pwi2xsf.1 docs/pwo2xsf.1 docs/ptable.1 docs/unitconv.1 /usr/local/share/man/man1/</div><div>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</div>
<div>\</div><div><span style="white-space:pre-wrap"> </span>install -m755 -d /usr/local/lib/xcrysden-1.5.53</div><div>install -m755 bin/* /usr/local/lib/xcrysden-1.5.53/</div><div>\</div><div><span style="white-space:pre-wrap"> </span>prefix=/usr/local xcrysden=xcrysden-1.5.53 sh sys_utils/wrappers.sh</div>
<div>if test ! -d /usr/local/bin; then install -m755 -d /usr/local/bin; fi</div><div>for prog in xcrysden pwi2xsf pwo2xsf ptable unitconv; do \</div><div><span style="white-space:pre-wrap"> </span>install -m755 $prog.wrapper /usr/local/bin/$prog; \</div>
<div><span style="white-space:pre-wrap"> </span>done</div></div><div><br></div><div>============================================</div><span class="HOEnZb"><font color="#888888"><div><br></div><div><br></div><div><br></div>
<div><br></div>-- <br><div dir="ltr">
<b>Arik Landau, Ph.D.</b><div><b>Computational Chemistry </b><br><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif">Schulich Faculty of Chemistry</span></div><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif">Technion-Israel Institute of Technology</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif">Haifa 32000 Israel</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif"><span style="color:rgb(34,34,34);font-family:arial,sans-serif">Tel: 972-4-829-2689</span></div>
</div><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif">www: </span><span style="line-height:21px;color:rgb(0,153,51);font-family:arial,sans-serif"><a href="http://hogwarts.usc.edu/~" target="_blank">hogwarts.usc.edu/~</a></span><b style="line-height:21px;color:rgb(0,153,51);font-family:arial,sans-serif">arik</b><span style="line-height:21px;color:rgb(0,153,51);font-family:arial,sans-serif">/</span></div>
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</font></span></div></div>
</blockquote></div><br><br clear="all"><div><br></div>-- <br><div dir="ltr"><b>Arik Landau, Ph.D.</b><div><b>Computational Chemistry </b><br><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">Schulich Faculty of Chemistry</span></div>
<div><span style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">Technion-Israel Institute of Technology</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">Haifa 32000 Israel</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)"><span style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">Tel: 972-4-829-2689</span></div>
</div><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif;background-color:rgb(255,255,255)">www: </span><span style="color:rgb(0,153,51);background-color:rgb(255,255,255);font-family:arial,sans-serif;line-height:21px"><a href="http://hogwarts.usc.edu/~" target="_blank">hogwarts.usc.edu/~</a></span><b style="color:rgb(0,153,51);background-color:rgb(255,255,255);font-family:arial,sans-serif;line-height:21px">arik</b><span style="color:rgb(0,153,51);background-color:rgb(255,255,255);font-family:arial,sans-serif;line-height:21px">/</span></div>
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