[Wien] Error in XCrySDen Installation

vishal jain vjain045 at gmail.com
Sat Apr 13 11:47:20 CEST 2013


 Dear Sir

I want to install XCrySDen in OS (ubuntu 12.04) as WIEN2k sporting
software  but getting these errors
fft3d.c:4:19: fatal error: fftw3.h: No such file or directory
compilation terminated.
make[2]: *** [fft3d.o] Error 1
make[2]: Leaving directory `/home/nrl/XCrySDen-1.5.24-src-all/C'
make[1]: *** [compile] Error 2
make[1]: Leaving directory `/home/nrl/XCrySDen-1.5.24-src-all/C'
make: *** [src-C] Error 2

And in commanding
nrl at nrl-Vostro-220s-Series:~$ cd XCrySDen-1.5.24-src-all
nrl at nrl-Vostro-220s-Series:~/XCrySDen-1.5.24-src-all$  ./xcrysden

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

  Version: 1.5.24

  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/nrl/XCrySDen-1.5.24-src-all/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home/nrl/XCrySDen-1.5.24-src-all
XCRYSDEN_SCRATCH=/home/nrl/xcrys_tmp

./xcrysden: 223: ./xcrysden: /home/nrl/XCrySDen-1.5.24-src-all/bin/xcrys:
not found
nrl at nrl-Vostro-220s-Series:~/XCrySDen-1.5.24-src-all$
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