Dear Gavin, Thanks for your reply. A restart solved my problem.
Regards Lokanath <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Virus-free. www.avg.com <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> On Fri, Oct 13, 2017 at 5:56 AM, Gavin Abo <gs...@crimson.ua.edu> wrote: > Enter in the terminal: > > echo $WIENROOT > > Does it return > > /cluster/home/lokanath/lib/w215 > > or > > /cluster/home/lokanath/lib/w217 > > Also: > > echo $PATH > > Does it contain: > > /cluster/home/lokanath/lib/w215:/cluster/home/lokanath/lib/w217 > > when it should contain only the: > > /cluster/home/lokanath/lib/w217 > > The "source ~/.bashrc" likely can add the w217 line to the PATH, but it > might not be able to remove w215 from the PATH. To remove the w215, you > have to close and open a new terminal or restart the computer so that the > previous environmental variables are wiped and then the new .bashrc is > loaded. > > > On 10/12/2017 6:13 AM, lokanath patra wrote: > > Dear Fhokul, > > Thanks for your reply. > > This is the Wien2k part of the .bashrc file. > > # added by WIEN2k: BEGIN > # -------------------------------------------------------- > alias lsi="ls -aslp *.in*" > alias lso="ls -aslp *.output*" > alias lsd="ls -aslp *.def" > alias lsc="ls -aslp *.clm*" > alias lss="ls -aslp *.scf* */*.scf" > alias lse="ls -aslp *.error" > alias LS="ls -aslp | grep /" > alias pslapw="ps -ef |grep "lapw"" > alias cdw="cd /usit/abel/u1/lokanath/WIEN2k" > export OMP_NUM_THREADS=1 > #export LD_LIBRARY_PATH=..... > export EDITOR="vi" > export SCRATCH=./ > export WIENROOT=/cluster/home/lokanath/lib/w217 > export W2WEB_CASE_BASEDIR=/usit/abel/u1/lokanath/WIEN2k > export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin > export PDFREADER=acroread > export PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/ > script-elastic:$PATH:. > export OCTAVE_EXEC_PATH=${PATH}:: > export OCTAVE_PATH=${STRUCTEDIT_PATH}:: > > export PATH=$PATH:$WIENROOT:. > ulimit -s unlimited > alias octave="octave -p $OCTAVE_PATH" > # -------------------------------------------------------- > # added by WIEN2k: END > > After that I did source .bashrc > > Still I am getting the old version in case.scf file. > > Regards, > Lokanath > > > On Thu, Oct 12, 2017 at 5:14 PM, Md. Fhokrul Islam <fis...@hotmail.com> > wrote: > >> Looks like you haven't changed $WIENROOT in your .bashrc (or whatever >> shell you are using). >> >> You need to change the $WIENROOT to the path of the new directory where >> you have installed >> >> Wien2k17.1. >> >> >> $WIENROOT = /cluster/home/lokanath/lib/w217 >> >> >> Fhokrul >> >> >> >> ------------------------------ >> *From:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of >> lokanath patra <lokanath.patra...@gmail.com> >> *Sent:* Thursday, October 12, 2017 7:27 AM >> *To:* A Mailing list for WIEN2k users >> *Subject:* [Wien] Problem with Wien2k 17 installation >> >> Dear all, >> >> I have installed Wien2k 17. To start with some test calculation, I >> performed spin polarized calculations with Ni. Everything running fine. But >> when I checked the case.scf file, it's still showing the old version like >> following. >> >> *:LABEL1: Calculations in /cluster/home/lokanath/WIEN2k/Ni* >> *:LABEL2: on login-0-1.local at Mon Oct 2 20:22:29 CEST 2017* >> *:LABEL3: using WIEN2k_14.2 (Release 15/10/2014) in >> /cluster/home/lokanath/lib/w215* >> *:LABEL4: using the command: runsp_lapw -so -ec 0.0001 -NI* >> >> I have installed Wien2k in /cluster/home/lokanath/lib/w217. >> >> What might be the error?? >> >> Thank you and Regards, >> Lokanath >> >> -- >> Lokanath Patra >> Ph.D Scholar >> Dept. of Physics >> School of Applied and Basic Sciences >> Central University of Tamil Nadu >> Thiruvarur >> Tamil Nadu - 610101 >> Ph no - +91-8675834507 >> >> >> <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> >> Virus-free. >> www.avg.com >> <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi >> e...@zeus.theochem.tuwien.ac.at/index.html >> >> > > > -- > Lokanath Patra > Ph.D Scholar > Dept. of Physics > School of Applied and Basic Sciences > Central University of Tamil Nadu > Thiruvarur > Tamil Nadu - 610101 > Ph no - +91-8675834507 > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > > -- Lokanath Patra Ph.D Scholar Dept. of Physics School of Applied and Basic Sciences Central University of Tamil Nadu Thiruvarur Tamil Nadu - 610101 Ph no - +91-8675834507
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