[xcrysden] Installation of xcrysden
Fendy Lovefaith
xyzfxbd at hotmail.com
Sat Feb 6 15:15:53 CET 2010
Dear 陈伟槟
I find the file xcrys in the bin directory but is it the same with xcrys.dll??? Here the command line :
[revival at localhost XCrySDen-1.5.17-bin-semishared]$ cd bin/
[revival at localhost bin]$ ls
atomlab* fhi_coord2xcr* fsReadBXSF* kPath* pwi2xsf* recvec* wn_readbakgen* xctclsh*
calplane* fhi_inpini2ftn34* ftnunit* multislab* pwi2xsf_old* savestruct* wn_readbands* xsf2xsf*
cube2xsf* fracCoor* gengeom* nn* pwKPath* str2xcr* xcrys*
How do you think 陈伟槟???
Thanks before.....GBU
Date: Sat, 6 Feb 2010 20:47:29 +0800
From: bingmou2004 at gmail.com
To: xcrysden at democritos.it
Subject: Re: [xcrysden] Installation of xcrysden
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?
在 2010年2月6日 下午7:11，Fendy Lovefaith <xyzfxbd at hotmail.com>写道：
Dear 陈伟槟
I'm sure the the enviroment variables XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH have been set right in ~/.bashrc,,,,,here is the profile of ~/.bashrc
#------------------------------------------------------------------------
# this is for XCRYSDEN 1.5.17; added by XCRYSDEN installation on
# Sat Feb 6 18:53:17 CST 2010
#------------------------------------------------------------------------
XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"
After that I try your suggestion to clean the ~/xcrys/temp using xc_cleanscratch and this is what happen :
[revival at localhost scripts]$ xc_cleanscratch
XCRYSDEN_SCRATCH directory: /home/revival/xcrys_temp/ will be cleaned
(i.e. rm -rf /home/revival/xcrys_temp/xc_*).
The following files/directories will be deleted:
/home/revival/xcrys_temp/xc_12460:
/home/revival/xcrys_temp/xc_16975:
/home/revival/xcrys_temp/xc_18305:
/home/revival/xcrys_temp/xc_8401:
Really delete? ([y]es/[n]o) y
Deleting /home/revival/xcrys_temp/xc_* ... OK
But again something strange when I want to source out the .bashrc
[revival at localhost scripts]$ source ~/.bashrc
bash: TMOUT: readonly variable
Then I type again the execute command xcrysden and this is happen again :
[revival at localhost scripts]$ xcrysden
+----------------------------------------------------------------+
|****************************************************************|
|* *|
|* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
|* = === = === *|
|*--------------------------------------------------------------*|
|* *|
|* Anton Kokalj (Tone.Kokalj at ijs.si) *|
|* Jozef Stefan Institute, Ljubljana, Slovenia *|
|* *|
|* Copyright (c) 1996--2004 by Anton Kokalj *|
|* *|
|****************************************************************|
+----------------------------------------------------------------+
Version: 1.5.17
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/.
TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
Running on platform: unix
Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit
/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 $ARGS > /dev/null
How do you think???
Perhaps something wrong with the bash profile???
Thanks 陈伟槟 ,,and ,,Anton Kokalj,,,,,your helps really affects much............I'm sure soon the XCRYSDEN can be run in my system
GBU
Date: Sat, 6 Feb 2010 14:41:27 +0800
From: bingmou2004 at gmail.com
To: xcrysden at democritos.it
Subject: Re: [xcrysden] Installation of xcrysden
try to read the end of your ~/.bashrc and found whether the enviroment variables XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH have been set right. I guess Xcrysden didn't write anything to your bashrc to set the approximate value and when you started your xcrysden, it used the default values. However maybe there's ~/xcrys/temp in your home directory---that's why error happened.
Hope it's useful for you!
在 2010年2月6日 下午12:40，Fendy Lovefaith <xyzfxbd at hotmail.com>写道：
Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list
I have returned now and I read the email from 陈伟槟 and the big boss Anton Kokalj,,,,
Now I understand that the xc-1.5.17-linux_x86-semishared.tar.gz is a compiled package.....However I found some strange result on my system,,,,so I type like this
[revival at localhost ~]$ source ~/.bashrc
bash: TMOUT: readonly variable
Then I try to type xcrysden,,,,and this is the result :
[revival at localhost ~]$ xcrysden
+----------------------------------------------------------------+
|****************************************************************|
|* *|
|* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
|* = === = === *|
|*--------------------------------------------------------------*|
|* *|
|* Anton Kokalj (Tone.Kokalj at ijs.si) *|
|* Jozef Stefan Institute, Ljubljana, Slovenia *|
|* *|
|* Copyright (c) 1996--2004 by Anton Kokalj *|
|* *|
|****************************************************************|
+----------------------------------------------------------------+
Version: 1.5.17
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/.
TCL_LIBRARY=/home/revival/XCrySDen-1.5.17-bin-semishared/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
Running on platform: unix
Executing: /home/revival/XCrySDen-1.5.17-bin-semishared/bin/ftnunit
/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
I can not understand the meaning of the error message written above.....Is it mean that something is missing with the $XCRYSDEN_TOPDIR and $XCRYSDEN_SCRATCH???
I think I need a help again to figure out what's wrong with my way of installation.......
Thanks so much for everyone who helps until now
GBU
Date: Tue, 26 Jan 2010 17:40:48 +0800
From: bingmou2004 at gmail.com
To: tone.kokalj at ijs.si; xcrysden at democritos.it
Subject: Re: [xcrysden] Installation of xcrysden
Follow the big boss Tone Kokalj and I hope you get what you want.
2010/1/26 Tone Kokalj <tone.kokalj at ijs.si>
On Tue, 2010-01-26 at 15:18 +0700, Fendy Lovefaith wrote:
> Dear 陈伟槟 ,,,,Anton Kokalj,,,,and XCrysden mailing list
>
>
> I'm so honored to receive many replies for the installation of
> XCrysden,,,,so I have download the tar file for for 32-bit linux:
> http://www.xcrysden.org/download/xc-1.5.17-linux_x86-semishared.tar.gz
>
>
> and then I update the info in /.bashrc file like below
>
>
> #------------------------------------------------------------------------
> XCRYSDEN_TOPDIR=/home/revival/XCrySDen-1.5.17-bin-semishared
> XCRYSDEN_SCRATCH=/home/revival/xcrys_temp
> export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
> PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/ scripts:
> $XCRYSDEN_TOPDIR/util"
if your xcrysden is really
in /home/revival/XCrySDen-1.5.17-bin-semishared, then all you need to do
is:
source ~/.bashrc
xcrysden
That's all. You don't need any make files, because
xc-1.5.17-linux_x86-semishared.tar.gz is already compiled package.
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
_______________________________________________
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XCrySDen at democritos.it
http://www.democritos.it/mailman/listinfo/xcrysden
--
陈伟槟
Chen Weibing
中科院半导体研究所超晶格国家实验室
The State Key Laboratory for Superlattices and Microstructures
Institute of Semiconductor, Chinese Academy of Science
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_______________________________________________
XCrySDen mailing list
XCrySDen at democritos.it
http://www.democritos.it/mailman/listinfo/xcrysden
--
陈伟槟
Chen Weibing
中科院半导体研究所超晶格国家实验室
The State Key Laboratory for Superlattices and Microstructures
Institute of Semiconductor, Chinese Academy of Science
New Windows 7: Find the right PC for you. Learn more.
_______________________________________________
XCrySDen mailing list
XCrySDen at democritos.it
http://www.democritos.it/mailman/listinfo/xcrysden
--
陈伟槟
Chen Weibing
中科院半导体研究所超晶格国家实验室
The State Key Laboratory for Superlattices and Microstructures
Institute of Semiconductor, Chinese Academy of Science
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