[Wien] Error in WIEN2k 11 installation

Jameson Maibam j.maibam_official at yahoo.com
Fri Apr 27 18:55:48 CEST 2012


Dear
WIEN2k sevelopers and users
I have a problem in installing the latest wien2k in UBUNTU 11.10 64 bit OS. My computer specification is dell inspiron laptop having intel centrino duo processor, 3 GB RAM and clock speed 2GHz. I have successfully installed the composer xe 2011 and edit my bash as follows as per instructions by the intel software forum:
$ source /opt/intel/bin/compilervars.sh intel64
$ export MKL_TARGET_ARCH MKL_LP64_ILP64 MKL_VERBOSE MKL_MODSince intel changes the name of the mkl-libraries from version to version,
so I have found the linking options for the most recent ifort version from
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ asCompiler options: -i8 -I$(MKLROOT)/include/intel64/ilp64 -I$(MKLROOT)/include
The compiler options have changed and I got the following message.changing Makefile in SRC_lib/blas_lapw
changing Makefile in SRC_lib/lapack_lapw
No Makefile.orig in SRC_structeditor/SRC_lib, leaving directory.
changing Makefile in SRC_structeditor/SRC_ncmsymmetry
changing Makefile in SRC_structeditor/SRC_readwrite
changing Makefile in SRC_structeditor/SRC_struct2mol
changing Makefile in SRC_structeditor/SRC_structgen
changing Makefile in SRC_2Doptimize
changing Makefile in SRC_afminput
changing Makefile in SRC_aim
changing Makefile in SRC_arrows
changing Makefile in SRC_balsac-utils
changing Makefile in SRC_broadening
changing Makefile in SRC_cif2struct
changing Makefile in SRC_clmaddsub
changing Makefile in SRC_clmcopy
changing Makefile in SRC_dipan
changing Makefile in SRC_dstart
changing Makefile in SRC_elast
changing Makefile in SRC_eosfit
changing Makefile in SRC_eosfit6
changing Makefile in SRC_filtvec
changing Makefile in SRC_fsgen
changing Makefile in SRC_initxspec
changing Makefile in SRC_irrep
changing Makefile in SRC_joint
changing Makefile in SRC_kgen
changing Makefile in SRC_kram
changing Makefile in SRC_lapw0
changing Makefile in SRC_lapw1
changing Makefile in SRC_lapw2
changing Makefile in SRC_lapw3
changing Makefile in SRC_lapw5
changing Makefile in SRC_lapw7
changing Makefile in SRC_lapwdm
changing Makefile in SRC_lapwso
changing Makefile in SRC_lcore
No Makefile.orig in SRC_lib, leaving directory.
changing Makefile in SRC_lorentz
changing Makefile in SRC_lstart
changing Makefile in SRC_mini
changing Makefile in SRC_mixer
changing Makefile in SRC_nn
changing Makefile in SRC_optic
changing Makefile in SRC_optimize
changing Makefile in SRC_orb
changing Makefile in SRC_pairhess
changing Makefile in SRC_phonon
changing Makefile in SRC_qtl
changing Makefile in SRC_reformat
changing Makefile in SRC_sgroup
changing Makefile in SRC_spacegroup
changing Makefile in SRC_spaghetti
No Makefile.orig in SRC_structeditor, leaving directory.
changing Makefile in SRC_sumpara
changing Makefile in SRC_supercell
changing Makefile in SRC_symmetry
changing Makefile in SRC_symmetso
changing Makefile in SRC_telnes3
No Makefile.orig in SRC_templates, leaving directory.
changing Makefile in SRC_tetra
changing Makefile in SRC_trig
changing Makefile in SRC_txspec
No Makefile.orig in SRC_usersguide_html, leaving directory.
changing Makefile in SRC_vecpratt
No Makefile.orig in SRC_w2web, leaving directory.



There were no error shown during the compilation, 
But when I tried to run TiC I got the following error message



on james-pc with PID 2770 
using WIEN2k_11.1 (Release 14/6/2011) in /home/james/WIEN2k 
  
start       (Fri Apr 27 22:09:03 IST 2012) with lapw0 (40/99 to go) 
cycle 1     (Fri Apr 27 22:09:03 IST 2012)  (40/99 to go) 
>   lapw0       (22:09:03) 3.816u 0.080s 0:04.42 88.0%  0+0k 18776+424io 49pf+0w 
>   lapw1       (22:09:07) Bus error 
0.360u 0.016s 0:00.49 75.5%     0+0k 4592+256io 16pf+0w 
error: command   /home/james/WIEN2k/lapw1 lapw1.def   failed 
>   stop error
 
What might be the cause of this error.
Please help
 
Jameson Maibam
Assam University, Silchar
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