[Wien] running error! (lapw1)
蔡 孟秋
caimengqiu at hotmail.com
Mon Nov 28 21:30:27 CET 2005
Dear Alex:
Thank you very much for you kind comment.
>Have you added something like:
>
>source /opt/intel/mkl70/tools/environment/mklvars32.sh
>
>to your ~/.bashrc file (if your shell is bash)? If not, do it.
My Shell is bash. But How to add to the "source
/opt/intel/mkl70/tools/environment/mklvars32.sh" in the ".bashrc" file.
My ".bashrc" file is as followed:
# .bashrc
# User specific aliases and functions
alias rm='rm -i'
alias cp='cp -i'
alias mv='mv -i'
# Source global definitions
if [ -f /etc/bashrc ]; then
. /etc/bashrc
fi
#source
export PATH=/opt/intel/mkl79/tools/environment/mklvars32.sh:$PATH
# For PGI
export PGI=/usr/pgi
export PATH=$PGI/linux86/bin:$PATH
# For ifc7
export PATH=/opt/intel_fc_80/bin:$PATH
export LD_LIBRARY_PATH="/opt/intel_fc_80/lib:$LD_LIBRARY_PATH"
export MANPATH="/opt/intel_fc_80/man:${MANPATH}"
#------------------------------------------------------------------------
#------------------------------------------------------------------------
# this is for XCRYSDEN 0.9.3; added by XCRYSDEN installation on
# 五 9月 12 21:11:25 CST 2003
#------------------------------------------------------------------------
XCRYSDEN_TOPDIR=/home/mqcai/Xcrysden/XCrySDen0.9.3
XCRYSDEN_SCRATCH=/home/mqcai/xcrys_tmp
export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"
# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.ou*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.cl*"
alias lss="ls -aslp *.sc*"
alias lse="ls -aslp *.error"
alias pslapw="ps -ef |grep "lapw""
export EDITOR="joe"
export SCRATCH=./
export WIENROOT=/home/mqcai/WIEN2k_03
export PDFREADER=acroread
export PATH=$PATH:$WIENROOT:.
# --------------------------------------------------------
# added by WIEN2k: END
Is it right?
Thanks a lot!
Sincerely Cai
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