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Dear 陈伟槟<br><br>I find the file xcrys in the bin directory but is it the same with xcrys.dll??? Here the command line : <br><br><font style="" color="#ff0000">[revival@localhost XCrySDen-1.5.17-bin-semishared]$ cd bin/</font><br><br><font style="" color="#ff0000">[revival@localhost bin]$ ls</font><font style="" color="#ff0000"><br><br></font><font style="" color="#ff0000">atomlab* fhi_coord2xcr* fsReadBXSF* kPath* pwi2xsf* recvec* wn_readbakgen* xctclsh*</font><font style="" color="#ff0000"><br></font><font style="" color="#ff0000">calplane* fhi_inpini2ftn34* ftnunit* multislab* pwi2xsf_old* savestruct* wn_readbands* xsf2xsf*</font><font style="" color="#ff0000"><br></font><font style="" color="#ff0000">cube2xsf* fracCoor* gengeom* nn* pwKPath* str2xcr* xcrys*</font><br><br>How do you think 陈伟槟???<br><br>Thanks before.....GBU<br><br><hr id="stopSpelling">Date: Sat, 6 Feb 2010 20:47:29 +0800<br>From: bingmou2004@gmail.com<br>To: xcrysden@democritos.it<br>Subject: Re: [xcrysden] Installation of xcrysden<br><br>It's weird! Line 211 in bash file xcrysden is for cygwin not Linux and you shouldn't execute this line when your system is Unix ! Is there a file named "xcrys.dll" in your bin directory in Xcrysden directory? <br>
<br><div class="ecxgmail_quote">在 2010年2月6日 下午7:11，Fendy Lovefaith <span dir="ltr"><<a href="mailto:xyzfxbd@hotmail.com">xyzfxbd@hotmail.com</a>></span>写道：<br><blockquote class="ecxgmail_quote" style="padding-left: 1ex;">
<div>
Dear 陈伟槟<br><br>I'm sure the the<font style="color: rgb(0, 0, 0);" color="#ff0000"> enviroment variables XCRYSDEN_TOPDIR</font><font style="color: rgb(0, 0, 0);" color="#ff0000"> </font><font style="color: rgb(0, 0, 0);" color="#ff0000">XCRYSDEN_SCRATCH</font><font color="#ff0000"><span style="color: rgb(0, 0, 0);"> have been set right in ~/.bashrc,,,,,here is the profile of ~/.bashrc<br>
<font color="#002060"><br></font><font color="#002060">#------------------------------------------------------------------------</font><font color="#002060"><br></font><font color="#002060"># this is for XCRYSDEN 1.5.17; added by XCRYSDEN installation on</font><font color="#002060"><br>
</font><font color="#002060"># Sat Feb 6 18:53:17 CST 2010</font><div class="ecxim"><font color="#002060"><br></font><font color="#002060">#------------------------------------------------------------------------</font><font color="#002060"><br>
</font><font color="#002060">XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared</font><font color="#002060"><br></font><font color="#002060">XCRYSDEN_SCRATCH=/home/revival/xcrys_temp</font><font color="#002060"><br>
</font><font color="#002060">export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH</font><font color="#002060"><br></font><font color="#002060">PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"</font><br>
<br></div></span></font>After that I try your suggestion to clean the <font color="#ff0000"><span style="color: rgb(0, 0, 0);">~/xcrys/temp using xc_cleanscratch and this is what happen :</span></font><br><br><font color="#ff0000">[revival@localhost scripts]$ xc_cleanscratch </font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> XCRYSDEN_SCRATCH directory: /home/revival/xcrys_temp/ will be cleaned </font><font color="#ff0000"><br></font><font color="#ff0000"> (i.e. rm -rf /home/revival/xcrys_temp/xc_*). </font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> The following files/directories will be deleted:</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000">/home/revival/xcrys_temp/xc_12460:</font><font color="#ff0000"><br>
</font><font color="#ff0000">/home/revival/xcrys_temp/xc_16975:</font><font color="#ff0000"><br></font><font color="#ff0000">/home/revival/xcrys_temp/xc_18305:</font><font color="#ff0000"><br></font><font color="#ff0000">/home/revival/xcrys_temp/xc_8401: </font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> Really delete? ([y]es/[n]o) y</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000">Deleting /home/revival/xcrys_temp/xc_* ... OK</font><br>
<br>But again something strange when I want to source out the .bashrc<br><br><br><font color="#ff0000">[revival@localhost scripts]$ source ~/.bashrc</font><font color="#ff0000"><br></font><font color="#ff0000">bash: TMOUT: readonly variable </font><font color="#ff0000"><br>
</font><br>Then I type again the execute command xcrysden and this is happen again :<br><br><font color="#ff0000">[revival@localhost scripts]$ xcrysden</font><div class="ecxim"><font color="#ff0000"><br></font><font color="#ff0000"><br>
</font><font color="#ff0000">+----------------------------------------------------------------+</font><font color="#ff0000"><br></font><font color="#ff0000">|****************************************************************|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* = === = === *|</font><font color="#ff0000"><br></font><font color="#ff0000">|*--------------------------------------------------------------*|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* Anton Kokalj (<a href="mailto:Tone.Kokalj@ijs.si">Tone.Kokalj@ijs.si</a>) *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* Jozef Stefan Institute, Ljubljana, Slovenia *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* Copyright (c) 1996--2004 by Anton Kokalj *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|****************************************************************|</font><font color="#ff0000"><br></font><font color="#ff0000">+----------------------------------------------------------------+</font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> Version: 1.5.17</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000"> Please report bugs to: <a href="mailto:Tone.Kokalj@ijs.si">Tone.Kokalj@ijs.si</a></font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000"> TERMS OF USE:</font><font color="#ff0000"><br></font><font color="#ff0000"> -------------</font><font color="#ff0000"><br></font><font color="#ff0000"> XCRYSDEN is released under the GNU General Public License.</font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> Whenever graphics generated by XCRYSDEN are used in scientific</font><font color="#ff0000"><br></font><font color="#ff0000"> publications, it shall be greatly appreciated to include an explicit</font><font color="#ff0000"><br>
</font><font color="#ff0000"> reference. The preferred form is the following:</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000"> [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.</font><font color="#ff0000"><br>
</font><font color="#ff0000"> Code available from <a href="http://www.xcrysden.org/">http://www.xcrysden.org/</a>.</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000">TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5</font><font color="#ff0000"><br>
</font><font color="#ff0000">XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared</font><font color="#ff0000"><br></font><font color="#ff0000">XCRYSDEN_SCRATCH=/home/revival/xcrys_temp</font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000">Running on platform: unix</font><font color="#ff0000"><br></font><font color="#ff0000">Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit</font><font color="#ff0000"><br>
</font></div><font color="#ff0000">/home/revival/XCrySDen-1.5.17-bin-semishared/xcrysden: line 211: 19666 Aborted ${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH $ARGS > /dev/null</font><br>
<br>How do you think???<br><br>Perhaps something wrong with the bash profile??? <br><br>Thanks 陈伟槟 ,,and ,,Anton Kokalj,,,,,your helps really affects much............I'm sure soon the XCRYSDEN can be run in my system<br>
<br>GBU<br><br><hr>Date: Sat, 6 Feb 2010 14:41:27 +0800<br>From: <a href="mailto:bingmou2004@gmail.com">bingmou2004@gmail.com</a><br>To: <a href="mailto:xcrysden@democritos.it">xcrysden@democritos.it</a><div>
<div></div><div class="h5"><br>Subject: Re: [xcrysden] Installation of xcrysden<br><br>try to read the end of your ~/.bashrc and found whether the<font style="color: rgb(0, 0, 0);" color="#ff0000"> enviroment variables XCRYSDEN_TOPDIR</font><font style="color: rgb(0, 0, 0);" color="#ff0000"> </font><font style="color: rgb(0, 0, 0);" color="#ff0000">XCRYSDEN_SCRATCH</font><font color="#ff0000"><span style="color: rgb(0, 0, 0);"> have been set right. I guess Xcrysden didn't write anything to your bashrc to set the approximate value and when you started your xcrysden, it used the default values. However maybe there's ~/xcrys/temp in your home directory---that's why error happened.<br>
Hope it's useful for you!<br></span></font><br><br><div>在 2010年2月6日 下午12:40，Fendy Lovefaith <span dir="ltr"><<a href="mailto:xyzfxbd@hotmail.com">xyzfxbd@hotmail.com</a>></span>写道：<br><blockquote style="padding-left: 1ex;">
<div><div>
Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list<br><br></div>I have returned now and I read the email from 陈伟槟 and the big boss Anton Kokalj,,,,<br><br>Now I understand that the xc-1.5.17-linux_x86-semishared.tar.gz is a compiled package.....However I found some strange result on my system,,,,so I type like this<br>
<br><font color="#ff0000">[revival@localhost ~]$ source ~/.bashrc</font><font color="#ff0000"><br></font><font color="#ff0000">bash: TMOUT: readonly variable</font><br><br>Then I try to type xcrysden,,,,and this is the result :<br>
<br>[<font color="#ff0000">revival@localhost ~]$ xcrysden</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000">+----------------------------------------------------------------+</font><font color="#ff0000"><br>
</font><font color="#ff0000">|****************************************************************|</font><font color="#ff0000"><br></font><font color="#ff0000">|* *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* = === = === *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|*--------------------------------------------------------------*|</font><font color="#ff0000"><br></font><font color="#ff0000">|* *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* Anton Kokalj (<a href="mailto:Tone.Kokalj@ijs.si">Tone.Kokalj@ijs.si</a>) *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* Jozef Stefan Institute, Ljubljana, Slovenia *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* *|</font><font color="#ff0000"><br></font><font color="#ff0000">|* Copyright (c) 1996--2004 by Anton Kokalj *|</font><font color="#ff0000"><br>
</font><font color="#ff0000">|* *|</font><font color="#ff0000"><br></font><font color="#ff0000">|****************************************************************|</font><font color="#ff0000"><br>
</font><font color="#ff0000">+----------------------------------------------------------------+</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000"> Version: 1.5.17</font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> Please report bugs to: <a href="mailto:Tone.Kokalj@ijs.si">Tone.Kokalj@ijs.si</a></font><div><font color="#ff0000"><br></font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> TERMS OF USE:</font><font color="#ff0000"><br></font><font color="#ff0000"> -------------</font><font color="#ff0000"><br></font><font color="#ff0000"> XCRYSDEN is released under the GNU General Public License.</font><font color="#ff0000"><br>
</font><font color="#ff0000"><br></font><font color="#ff0000"> Whenever graphics generated by XCRYSDEN are used in scientific</font><font color="#ff0000"><br></font></div><font color="#ff0000"> publications, it shall be greatly appreciated to include an explicit</font><font color="#ff0000"><br>
</font><font color="#ff0000"> reference. The preferred form is the following:</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font><font color="#ff0000"> [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.</font><div>
<font color="#ff0000"><br></font><font color="#ff0000"> Code available from <a href="http://www.xcrysden.org/">http://www.xcrysden.org/</a>.</font><font color="#ff0000"><br></font><font color="#ff0000"><br>
</font></div><font color="#ff0000">TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5</font><div><font color="#ff0000"><br></font><font color="#ff0000">XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared</font><font color="#ff0000"><br>
</font><font color="#ff0000">XCRYSDEN_SCRATCH=/home/revival/xcrys_temp</font><font color="#ff0000"><br></font><font color="#ff0000"><br></font></div><font color="#ff0000">Running on platform: unix</font><font color="#ff0000"><br>
</font><font color="#ff0000">Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit</font><font color="#ff0000"><br></font><font color="#ff0000">/home/revival/XCrySDen-1.5.17-bin-semishared/xcrysden: line 211: 14571 Aborted ${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH $ARGS > /dev/null</font><br>
<br>I can not understand the meaning of the error message written above.....Is it mean that something is missing with the $XCRYSDEN_TOPDIR and $XCRYSDEN_SCRATCH???<br><br>I think I need a help again to figure out what's wrong with my way of installation.......<br>
<br>Thanks so much for everyone who helps until now<br><br>GBU<br><hr>Date: Tue, 26 Jan 2010 17:40:48 +0800<br>From: <a href="mailto:bingmou2004@gmail.com">bingmou2004@gmail.com</a><br>To: <a href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>; <a href="mailto:xcrysden@democritos.it">xcrysden@democritos.it</a><div>
<br>Subject: Re: [xcrysden] Installation of xcrysden<br><br></div><div><div></div><div>Follow the big boss<span> Tone Kokalj</span> and I hope you get what you want.<br><br><div>2010/1/26 Tone Kokalj <span dir="ltr"><<a href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>></span><br>
<blockquote style="padding-left: 1ex;">On Tue, 2010-01-26 at 15:18 +0700, Fendy Lovefaith wrote:<br>
> Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list<br>
<div>><br>
><br>
> I'm so honored to receive many replies for the installation of<br>
> XCrysden,,,,so I have download the tar file for for 32-bit linux:<br>
> <a href="http://www.xcrysden.org/download/xc-1.5.17-linux_x86-semishared.tar.gz">http://www.xcrysden.org/download/xc-1.5.17-linux_x86-semishared.tar.gz</a><br>
><br>
><br>
> and then I update the info in /.bashrc file like below<br>
><br>
><br>
> #------------------------------------------------------------------------<br>
> XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared<br>
> XCRYSDEN_SCRATCH=/home/revival/xcrys_temp<br>
> export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH<br>
> PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/ scripts:<br>
> $XCRYSDEN_TOPDIR/util"<br>
<br>
</div>if your xcrysden is really<br>
in /home/revival/XCrySDen-1.5.17-bin-semishared, then all you need to do<br>
is:<br>
<br>
source ~/.bashrc<br>
xcrysden<br>
<br>
That's all. You don't need any make files, because<br>
xc-1.5.17-linux_x86-semishared.tar.gz is already compiled package.<br>
<div><div></div><div><br>
Regards, Tone<br>
<br>
--<br>
Anton Kokalj<br>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br>
(tel: +386-1-477-3523 // fax:+386-1-477-3822)<br>
<br>
Please, if possible, avoid sending me Word or PowerPoint attachments.<br>
See: <a href="http://www.gnu.org/philosophy/no-word-attachments.html">http://www.gnu.org/philosophy/no-word-attachments.html</a><br>
<br>
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<a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
<a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
</div></div></blockquote></div><br><br clear="all"><br>-- <br>陈伟槟<br>Chen Weibing<br>中科院半导体研究所超晶格国家实验室<br>The State Key Laboratory for Superlattices and Microstructures<br>Institute of Semiconductor, Chinese Academy of Science<br>
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<br>_______________________________________________<br>
XCrySDen mailing list<br>
<a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
<a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
<br></blockquote></div><br><br clear="all"><br>-- <br>陈伟槟<br>Chen Weibing<br>中科院半导体研究所超晶格国家实验室<br>The State Key Laboratory for Superlattices and Microstructures<br>Institute of Semiconductor, Chinese Academy of Science<br>
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<br>_______________________________________________<br>
XCrySDen mailing list<br>
<a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
<a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
<br></blockquote></div><br><br clear="all"><br>-- <br>陈伟槟<br>Chen Weibing<br>中科院半导体研究所超晶格国家实验室<br>The State Key Laboratory for Superlattices and Microstructures<br>Institute of Semiconductor, Chinese Academy of Science<br>
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