[Wien] system error *.def files not generated
yasir saeed
yasir_saeed54321 at yahoo.com
Sat Mar 20 21:59:00 CET 2010
hi Dr Aruna
1. Edit x_lapw script (by gedit or vi ) in your wien2k main directory and find the following line (should be around the lines 238—248):
echo "`date`> ($name) $command $argv1[2-]" >> $log2. Comment it and replace with this one:
echo "`date`> ($name) $argv1" >> $logNow it should work.
Yasir Saeed
Lecturer / Research Associate
Department of Physics
GC University, Faisalabad, Pakistan
Cell:+92 345 4041865
Off: +92 41 9201372
Fax: +92 41 9200671
Email: yasir_saeed54321 at yahoo.com
Web : www.gcuf.edu.pk/
________________________________
From: Dr Aruna Chatterjee <aruna_c at vsnl.net>
To: wien at zeus.theochem.tuwien.ac.at
Sent: Sat, March 20, 2010 8:26:47 PM
Subject: [Wien] system error *.def files not generated
Dear wien users,
I am working with an older version wien_03 on my machine : Intel(R) core (TM) 2 duo cpu. Processor no E7500@ 2.93 GHz
2.93 Ghz, 1.99GB of RAM
operating system is Red Hat Enterprise Linux 5
I am using compiler option:-FR -w -mp1 -prec_div -pad -ipo -i -static
LDflag:-L/opt/intel/fc/9.1.036/lib -i -static
Real lib:-L/opt/intel/mkl/9.1.021/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -lpthread
Compilation is runtime error free. However warning like Because of common alignment of objects are not consistent with its type , is appearing in directories like SRC_spacegroup. After making the struct and inst files when I start initialization an error appears.It saya system error
argv1:subscript is out of range while executing x nn
No *.def files are generated.
Can any body give me suggestion in order that I may get rid of the errors.
Thanking in advance.
Arun Kumar Chatterjee.
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