miscompilation of XCrysDen  [SOLVED]

option, parallelism,...

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raff
Posts: 23
Joined: Thu Oct 07, 2010 4:58 pm

miscompilation of XCrysDen

Post by raff » Tue Nov 09, 2010 6:53 pm

hello
I was installing XCrysDen, when it finally was compiled it displays each time that I try to run it
an splash of presentation and this message on the terminal

rafael@fisica1:~$ xcrysden

+----------------------------------------------------------------+
|****************************************************************|
|* *|
|* XCrySDen - (X-Window) CRYstalline Structures and DENsities *|
|* = === = === *|
|*--------------------------------------------------------------*|
|* *|
|* Anton Kokalj (Tone.Kokalj@ijs.si) *|
|* Jozef Stefan Institute, Ljubljana, Slovenia *|
|* *|
|* Copyright (c) 1996--2009 by Anton Kokalj *|
|* *|
|****************************************************************|
+----------------------------------------------------------------+

Version: 1.5.21

Please report bugs to: Tone.Kokalj@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/rafael/Desktop/xcrysden/XCrySDen-1.5.21-src-all_4
XCRYSDEN_SCRATCH=/home/rafael/xcrys_tmp

Running on platform : unix
Operating system : Linux
Package ImageMagick's convert: /usr/bin/convert
Package ImageMagick's import: /usr/bin/import
Package Gifsicle: /usr/bin/gifsicle
Package Ppmtompeg: /usr/bin/ppmtompeg
Package Babel: /usr/bin/babel
Package Xwd: /usr/bin/xwd
Executing: /home/rafael/Desktop/xcrysden/XCrySDen-1.5.21-src-all_4/bin/ftnunit
rafael@fisica1:~$

then the splash disappears end the program end without explanation
somebody has dealt with something like this, what is happening???
thenks
raff

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: miscompilation of XCrysDen

Post by pouillon » Tue Nov 09, 2010 8:56 pm

This forum is related to Abinit, not XCrysDen. I'm not even using XCrysDen, thus I have absolutely no clue what you're talking about.

I can only suggest you to follow what is written in the output of XCrysDen (see your own post above):

Code: Select all

Please report bugs to: Tone.Kokalj@ijs.si


Thank you in advance.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: miscompilation of XCrysDen  [SOLVED]

Post by mverstra » Thu Nov 18, 2010 11:27 am

Several excellent alternatives exist as well:

v_sim http://inac.cea.fr/sp2m/L_Sim/V_Sim/

Avogadro http://avogadro.openmolecules.net/wiki/Main_Page

vmd, venus, jmol...

Apart from v_sim using the etsf file format, visualization of the density or wavefunction is not functional in most of these yet. XCrysden is nice, but again the bugs can not be solved here.

Cheers

Matthieu
Matthieu Verstraete
University of Liege, Belgium

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