Your bashrc block looks fine. There is likely something else I'm not
seeing.
In a terminal, enter the command: echo $WIENROOT
Does that output:
/scratch/19ph92r03/safikul/WIENNCM/WIENNCM
Previously, one of your errors was:
/scratch/19ph92r03/safikul/WIENNCM/WIENNCM/lapw0: Command not found.
Did you put your compiled lapw0 file in that directory?
Enter the terminal command: ls -la $WIENROOT | grep lapw0
Does the non-empty lapw0 file show up as being there as you would expect
in the output?
On 11/18/2023 10:14 PM, Safikul Islam wrote:
Dear Sir,
Even though I have added the path for WIENncm the error
persists. Here is my bashrc file. How will I add the path of WEIN2k
and WIENncm simultaneously?
......................................................................................................................................
# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.output*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.clm*"
alias lss="ls -aslp *.scf* */*.scf"
alias lse="ls -aslp *.error"
alias LS="ls -aslp | grep /"
alias pslapw="ps -ef |grep "lapw""
alias cdw="cd /home/19ph92r03/WIEN2k"
export OMP_NUM_THREADS=1
#export LD_LIBRARY_PATH=.....
export EDITOR="gedit"
export SCRATCH=./
#export WIENROOT=/scratch/19ph92r03/safikul/wien2k
export WIENROOT=/scratch/19ph92r03/safikul/WIENNCM/WIENNCM
export W2WEB_CASE_BASEDIR=/home/19ph92r03/WIEN2k
export STRUCTEDIT_PATH=$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 $OCTAVE_PATH"
# --- BERRYPI START ---
export BERRYPI_PATH=$WIENROOT/SRC_BerryPI/BerryPI
export BERRYPI_PYTHON=/usr/bin/python2.7
alias berrypi="${BERRYPI_PYTHON} ${BERRYPI_PATH}/berrypi"
# --- BERRYPI END ---
# --------------------------------------------------------
# added by WIEN2k:
END...........................................................................................................................................................
with kind regards,
Safikul Islam
--
*SAFIKUL ISLAM*
[Ph.D Research Scholar]
---------------------------------------------------
Department of Physics.
Indian Institute of Technology,
Kharagpur.
West Bengal, India.
_Pin Code_:- 721302.
---------------------------------------------------
_Contact_:- 9832979985
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