AW: [Wien] running error! (lapw1)

[Gerhard Fecher]

No need to login as root, better just use a root shell !


-----Ursprüngliche Nachricht-----
Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von ? ??
Gesendet: Mo 28.11.2005 21:30
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] running error! (lapw1)
 
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
# ?  9? 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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