[Wien] error in k-point parallel execution

Mahmoud Payami mpayami at aeoi.org.ir
Wed Jul 28 17:42:33 CEST 2004


Dear Dr. Andersen,

For your information, I have run the TiC example on each node using w2web
separately, and no problem.


> So the other lapw1's doesn't even start. This is useful information,
> although I am not immediately sure of the consequences. I will be
> guessing, though...
>
> What I mean is: When you log in on condmat2, do you have the same home
> directory as on localhost? You can test this with "touch file_of_zero"
> on localhost, then see if it is also present on condmat2.

I executed the command "touch file_of_zero" on both "localhost" and
"condmat2" and no output resulted but the shell prompt.

>
> When you set up Wien2k, it modifies your .cshrc (csh configuration) and
> sets a SCRATCH environment variable. Does the directory in this variable
> exist on all machines?

I use "bash" and the content of ".bashrc" in both computers are the same:

++++++++++++++
# .bashrc

# User specific aliases and functions

# Source global definitions
if [ -f /etc/bashrc ]; then
 . /etc/bashrc
fi
# 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="emacs"
export SCRATCH=./
export WIENROOT=/home/wien2k/.WIEN_ROOT
export PDFREADER=acroread

export PATH=$PATH:$WIENROOT:.
# --------------------------------------------------------
# added by WIEN2k: END
++++++++++++++++++++++++++++

> What do you get from "echo $SCRATCH" on localhost and condmat2?

I get "./" from both pc's.

>
> What do you get from "echo $path" on localhost and condmat2?

I get nothing using "echo $path" but usin "env" I get:

------------------
LESSKEY=/etc/.less
LC_PAPER=en_US
KDE_MULTIHEAD=false
SSH_AGENT_PID=2757
LC_ADDRESS=en_US
LC_MONETARY=en_US
HOSTNAME=condmat1.ctpm.aeoi.org
TERM=xterm
SHELL=/bin/bash
HISTSIZE=1000
XDM_MANAGED=/var/run/xdmctl/xdmctl-:0,maysd,mayfn,sched,rsvd
GTK2_RC_FILES=/usr/share/themes/Galaxy/gtk-2.0/gtkrc:/etc/gtk-2.0/gtkrc:/hom
e/mahmoud/.gtkrc-2.0:/home/mahmoud/.kde/share/config/gtkrc
TMPDIR=/home/mahmoud/tmp
GTK_RC_FILES=/usr/share/themes/Galaxy/gtk/gtkrc:/etc/gtk/gtkrc:/home/mahmoud
/.gtkrc:/home/mahmoud/.kde/share/config/gtkrc
GS_LIB=/home/mahmoud/.fonts
WINDOWID=33554437
PDFREADER=acroread
LC_NUMERIC=en_US
QTDIR=/usr/lib/qt3/
KDE_FULL_SESSION=true
USER=mahmoud
XCURSOR_SIZE=
LS_COLORS=no=00:fi=00:di=01;34:ln=01;36:pi=40;33:so=01;35:bd=40;33;01:cd=40;
33;01:or=01;05;37;41:mi=01;05;37;41:ex=01;32:*.cmd=01;32:*.exe=01;32:*.com=0
1;32:*.btm=01;32:*.bat=01;32:*.sh=01;32:*.csh=01;32:*.tar=01;31:*.tgz=01;31:
*.arj=01;31:*.taz=01;31:*.lzh=01;31:*.zip=01;31:*.z=01;31:*.Z=01;31:*.gz=01;
31:*.bz2=01;31:*.bz=01;31:*.tz=01;31:*.rpm=01;31:*.cpio=01;31:*.jpg=01;35:*.
gif=01;35:*.bmp=01;35:*.xbm=01;35:*.xpm=01;35:*.png=01;35:*.tif=01;35:
LC_TELEPHONE=en_US
SSH_AUTH_SOCK=/tmp/ssh-nWKi2681/agent.2681
SESSION_MANAGER=local/condmat1.ctpm.aeoi.org:/tmp/.ICE-unix/2804
GNOME_DISABLE_CRASH_DIALOG=1
KONSOLE_DCOP=DCOPRef(konsole-4448,konsole)
NLSPATH=/usr/share/locale/%l/%N
MAIL=/var/spool/mail/mahmoud
DESKTOP_SESSION=default
PATH=/usr/bin:/bin:/usr/bin:/usr/local/bin:/usr/X11R6/bin/:/usr/games:/home/
wien2k/.WIEN_ROOT:.:/home/mahmoud/bin:/usr/lib/ssh:/home/wien2k/.WIEN_ROOT:.
LC_MESSAGES=en_US
SECURE_LEVEL=2
LC_IDENTIFICATION=en_US
LC_COLLATE=en_US
KONSOLE_DCOP_SESSION=DCOPRef(konsole-4448,session-1)
INPUTRC=/etc/inputrc
PWD=/home/mahmoud
XMODIFIERS=@im=none
EDITOR=emacs
LANG=en_US
HELP_BROWSER=kfmclient openProfile webbrowsing
LC_MEASUREMENT=en_US
SSH_ASKPASS=/usr/lib/ssh/gnome-ssh-askpass
HISTCONTROL=ignoredups
SHLVL=2
HOME=/home/mahmoud
LANGUAGE=en_US:en
XCURSOR_THEME=default
GCONF_TMPDIR=/tmp
TMP=/home/mahmoud/tmp
LESS=-MM
LOGNAME=mahmoud
LC_CTYPE=en_US
LESSOPEN=|/usr/bin/lesspipe.sh %s
BROWSER=kfmclient openProfile webbrowsing
DESKTOP=kde
WIENROOT=/home/wien2k/.WIEN_ROOT
DISPLAY=:0.0
LC_TIME=en_US
SCRATCH=./
G_BROKEN_FILENAMES=1
COLORTERM=
XAUTHORITY=/home/mahmoud/.Xauthority
LC_NAME=en_US
_=/usr/bin/env
OLDPWD=/home/mahmoud
--------------------------------

which is the same as in condmat2.

>
> When you log in on condmat2, can you execute lapw1 manually? Try, in a
> shell: "which lapw1", and if it gives you a response, try "lapw1". What
> is the result?

I tried "which lapw1" on both PC's and obtained:
"/home/wien2k/.WIEN_ROOT/lapw1".

I tried "run lapw1" on both PC's in the directory TiC which I had already
worked with, and obtained:
------------
ERROR: option lapw1 does not exist !

LAPW0   END
LAPW1   END
LAPW2   END
CORE     END
MIXER   END

in cycle 2   ETEST:0   CTEST:0

LAPW0    END
...
----------------------------

Looking forward to hearing from you.

Kind regards,
Mahmoud Payami




>
> <snip> Your .machines is ok, I think.
>
> Best regards,
> Torsten Andersen.
>
> -- 
> Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
> AG Hübner, Department of Physics, Kaiserslautern University
> http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>





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