<br clear="all">Dear Wien2k Users and Developers,<br><br><br>I have installed Wien2k 11.1 on an Intel xeon processor based hp machine with linux redhat 6 and used noncommercial version of fortran+ mkl compiler l_fcompxe_intel64_2011.11.339.<br>
But during the scf cycle it shows the following error:<br><br>LAPW0 END<br> LAPW1 END<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>
lapw2              000000000048D8C7  sphbes_                    65  sphbes.f<br>lapw2              000000000045091B  harmon_                    13  harmon.f<br>lapw2              000000000045E62D  l2main_                   671  l2main_tmp_.F<br>
lapw2              0000000000474018  MAIN__                    564  lapw2_tmp_.F<br>lapw2              0000000000403CBC  Unknown               Unknown  Unknown<br>libc.so.6          00000036F401EC5D  Unknown               Unknown  Unknown<br>
lapw2              0000000000403BB9  Unknown               Unknown  Unknown<br><br>&gt;   stop error<br><br>My .bashrc file is given below,<br><br><br># .bashrc<br><br># User specific aliases and functions<br><br>alias rm=&#39;rm -i&#39;<br>
alias cp=&#39;cp -i&#39;<br>alias mv=&#39;mv -i&#39;<br><br># Source global definitions<br>if [ -f /etc/bashrc ]; then<br>    . /etc/bashrc<br>fi<br><br>source /opt/intel/composer_xe_2011_sp1.11.339/bin/ifortvars.sh intel64<br>
<br>export LD_LIBRARY_PATH=/opt/intel/composer_xe_2011_sp1.11.339/lib/intel64:/opt/intel/composer_xe_2011_sp1.11.339/mkl/lib/intel64/<br><br>export MKL_TARGET_ARCH=intel64<br><br>export INTEL_LICENSE_FILE=/opt/intel/licenses/*.lic<br>
<br># added by WIEN2k: BEGIN<br># --------------------------------------------------------<br>alias lsi=&quot;ls -aslp *.in*&quot;<br>alias lso=&quot;ls -aslp *.ou*&quot;<br>alias lsd=&quot;ls -aslp *.def&quot;<br>alias lsc=&quot;ls -aslp *.cl*&quot;<br>
alias lss=&quot;ls -aslp *.sc*&quot;<br>alias lse=&quot;ls -aslp *.error&quot;<br>alias pslapw=&quot;ps -ef |grep &quot;lapw&quot;&quot;<br>alias cdw=&quot;cd /root/WIEN&quot;<br>export OMP_NUM_THREADS=1<br>export LD_LIBRARY_PATH=/opt/intel/composer_xe_2011_sp1.11.339/mkl/lib/intel64/<br>
export EDITOR=&quot;emacs&quot;<br>export SCRATCH=./<br>export WIENROOT=/root/WIEN<br>export W2WEB_CASE_BASEDIR=/root/WIEN<br>export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin<br>export PDFREADER=acroread<br>export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.<br>
export OCTAVE_EXEC_PATH=${PATH}::<br>export OCTAVE_PATH=${STRUCTEDIT_PATH}::<br><br>export PATH=$PATH:$WIENROOT:.<br>ulimit -s unlimited<br>alias octave=&quot;octave -p $OCTAVE_PATH&quot;<br># --------------------------------------------------------<br>
# added by WIEN2k: END <br><br><br>Waiting for your valuable support and coopertaion. Please do the same.<br><br>Sadhna Singh<br>Barkatullah University<br>Bhopal.<br>