[Wien] Upgrade to Wien2k18.2

[Gavin Abo]

Your .bashrc seems okay.  It looks like w2web started just fine.

You may want to check that the w2web process is running as it should be, 
for example:

username at computername:~$ ps -ef | grep w2web
username     2557  1701  0 07:45 ?        00:00:00 /usr/bin/perl 
/home/username/WIEN2k/SRC_w2web/bin/w2web
username     2592  2531  0 07:46 pts/0    00:00:00 grep --color=auto w2web

What web browser are you using (and on which system)?  If using firefox, 
is Work Offline unchecked [ 
https://www.howtogeek.com/263854/how-to-enable-offline-browsing-in-firefox/ 
].  If Work Offline is checked, it might not work.

What is the exact error message the browser gives you with 
http://localhost:7890?

What Linux operating system are you using (Ubuntu, Fedora, ...) and version?

Are you able to ping localhost [ 
https://ubuntuforums.org/showthread.php?t=2217432 ]?  Some operating 
system might use something different from localhost like 
localhost.localdomain [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10768.html 
] or an ip address might have to be used (e.g., 127.0.0.1) [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02143.html ]

If you look online, you should be able to find information on disabling 
the operating system firewall [ 
https://linuxconfig.org/how-to-enable-disable-firewall-on-ubuntu-18-04-bionic-beaver-linux 
], which you could try.

On 11/16/2018 8:40 AM, Subhasis Panda wrote:
>
> Dear Prof. Gavin,
> I'm using Wien2k for the first time & not familiar with much of that. 
> So, I really don't have idea what information do I need to share with. 
> Anyway, thanks a lot for your support. This is the current status.
>
>
>  I have set w2web with userid and password.
>
> anupriya at anupriya-ThinkCentre-M93p:~/.w2web/anupriya-ThinkCentre-M93p/conf$ 
> w2web
>
> #######################################################################
> # w2web starter #
> # Copyright (C) 2001 luitz.at <http://luitz.at/> #
> #######################################################################
> w2web installer on host anupriya-ThinkCentre-M93p
>
>
> #######################################################################
> # w2web installer #
> # Copyright (C) 2001 luitz.at <http://luitz.at/> #
> #######################################################################
>
> Checking for Installation in 
> /home/anupriya/.w2web/anupriya-ThinkCentre-M93p
>
>
> w2web server started, now point your web browser to
> http://localhost:7890 <http://localhost:7890/>
>
> But when I was browsing to the above mentioned address, it was not 
> loading...It may be due to firewall causing problem..how to find which 
> one is creating problem to load the browser?
>
>
> I didn't find any compile.msg file from any of SRC_* folder..
>
>
>
> After giving the command "cat ~/.bashrc", am finding the following file.
>
>
>
> # ~/.bashrc: executed by bash(1) for non-login shells.
> # see /usr/share/doc/bash/examples/startup-files (in the package bash-doc)
> # for examples
>
> # If not running interactively, don't do anything
> case $- in
>     *i*) ;;
>       *) return;;
> esac
>
> # don't put duplicate lines or lines starting with space in the history.
> # See bash(1) for more options
> HISTCONTROL=ignoreboth
>
> # append to the history file, don't overwrite it
> shopt -s histappend
>
> # for setting history length see HISTSIZE and HISTFILESIZE in bash(1)
> HISTSIZE=1000
> HISTFILESIZE=2000
>
> # check the window size after each command and, if necessary,
> # update the values of LINES and COLUMNS.
> shopt -s checkwinsize
>
> # If set, the pattern "**" used in a pathname expansion context will
> # match all files and zero or more directories and subdirectories.
> #shopt -s globstar
>
> # make less more friendly for non-text input files, see lesspipe(1)
> [ -x /usr/bin/lesspipe ] && eval "$(SHELL=/bin/sh lesspipe)"
>
> # set variable identifying the chroot you work in (used in the prompt 
> below)
> if [ -z "${debian_chroot:-}" ] && [ -r /etc/debian_chroot ]; then
>     debian_chroot=$(cat /etc/debian_chroot)
> fi
>
> # set a fancy prompt (non-color, unless we know we "want" color)
> case "$TERM" in
>     xterm-color|*-256color) color_prompt=yes;;
> esac
>
> # uncomment for a colored prompt, if the terminal has the capability; 
> turned
> # off by default to not distract the user: the focus in a terminal window
> # should be on the output of commands, not on the prompt
> #force_color_prompt=yes
>
> if [ -n "$force_color_prompt" ]; then
>     if [ -x /usr/bin/tput ] && tput setaf 1 >&/dev/null; then
>     # We have color support; assume it's compliant with Ecma-48
>     # (ISO/IEC-6429). (Lack of such support is extremely rare, and such
>     # a case would tend to support setf rather than setaf.)
>     color_prompt=yes
>     else
>     color_prompt=
>     fi
> fi
>
> if [ "$color_prompt" = yes ]; then
> PS1='${debian_chroot:+($debian_chroot)}\[\033[01;32m\]\u@\h\[\033[00m\]:\[\033[01;34m\]\w\[\033[00m\]\$ 
> '
> else
> PS1='${debian_chroot:+($debian_chroot)}\u@\h:\w\$ '
> fi
> unset color_prompt force_color_prompt
>
> # If this is an xterm set the title to user at host:dir
> case "$TERM" in
> xterm*|rxvt*)
> PS1="\[\e]0;${debian_chroot:+($debian_chroot)}\u@\h: \w\a\]$PS1"
>     ;;
> *)
>     ;;
> esac
>
> # enable color support of ls and also add handy aliases
> if [ -x /usr/bin/dircolors ]; then
>     test -r ~/.dircolors && eval "$(dircolors -b ~/.dircolors)" || 
> eval "$(dircolors -b)"
>     alias ls='ls --color=auto'
>     #alias dir='dir --color=auto'
>     #alias vdir='vdir --color=auto'
>
>     alias grep='grep --color=auto'
>     alias fgrep='fgrep --color=auto'
>     alias egrep='egrep --color=auto'
> fi
>
> # colored GCC warnings and errors
> #export 
> GCC_COLORS='error=01;31:warning=01;35:note=01;36:caret=01;32:locus=01:quote=01'
>
> # some more ls aliases
> alias ll='ls -alF'
> alias la='ls -A'
> alias l='ls -CF'
>
> # Add an "alert" alias for long running commands. Use like so:
> #   sleep 10; alert
> alias alert='notify-send --urgency=low -i "$([ $? = 0 ] && echo 
> terminal || echo error)" "$(history|tail -n1|sed -e 
> '\''s/^\s*[0-9]\+\s*//;s/[;&|]\s*alert$//'\'')"'
>
> # Alias definitions.
> # You may want to put all your additions into a separate file like
> # ~/.bash_aliases, instead of adding them here directly.
> # See /usr/share/doc/bash-doc/examples in the bash-doc package.
>
> if [ -f ~/.bash_aliases ]; then
>     . ~/.bash_aliases
> fi
>
> # enable programmable completion features (you don't need to enable
> # this, if it's already enabled in /etc/bash.bashrc and /etc/profile
> # sources /etc/bash.bashrc).
> if ! shopt -oq posix; then
>   if [ -f /usr/share/bash-completion/bash_completion ]; then
>     . /usr/share/bash-completion/bash_completion
>   elif [ -f /etc/bash_completion ]; then
>     . /etc/bash_completion
>   fi
> fi
> source /opt/intel/bin/ifortvars.sh intel64
> source /opt/intel/mkl/bin/mklvars.sh intel64
>
> # --- BERRYPI START ---
> export BERRYPI_PATH=$WIENROOT/SRC_BerryPI/BerryPI
> export BERRYPI_PYTHON=/usr/bin/python2.7
> alias berrypi="${BERRYPI_PYTHON} ${BERRYPI_PATH}/berrypi"
> # --- BERRYPI END ---
> # added by WIEN2k: BEGIN
> # --------------------------------------------------------
> alias lsi="ls -aslp *.in*"
> alias lso="ls -aslp *.output*"
> alias lsd="ls -aslp *.def"
> alias lsc="ls -aslp *.clm*"
> alias lss="ls -aslp *.scf* */*.scf"
> alias lse="ls -aslp *.error"
> alias LS="ls -aslp | grep /"
> alias pslapw="ps -ef |grep "lapw""
> alias cdw="cd /home/anupriya/wien2k18"
> export OMP_NUM_THREADS=1
> #export LD_LIBRARY_PATH=.....
> export EDITOR="gedit"
> export SCRATCH=./
> export WIENROOT=/home/anupriya/wien2k_18.2
> export W2WEB_CASE_BASEDIR=/home/anupriya/wien2k18
> export STRUCTEDIT_PATH=$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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20181117/5e5c8781/attachment.html>