[Wien] running k-point parallel across nodes
Oliver Albertini
ora at georgetown.edu
Thu Oct 17 01:07:36 CEST 2013
I enabled the path through ssh. In /etc/ssh/sshd_config:
added PermitUserEnvironment = yes
and added the file ~/.ssh/environment with
PATH=/usr/bin/WIEN2k/13 in it. Now the following error appears on the
remote node, the local node runs fine:
Error in LAPW1
'INILPW' - can't open definition file
^O������^@^@^@^@^@^@^@^A^O������`�^O���^M ^@^P^@| R^P
'LAPW1' - INILPW aborted unsuccessfully.
On Wed, Oct 16, 2013 at 1:19 PM, Laurence Marks <L-marks at northwestern.edu>wrote:
> It may be that you need to add
> export PATH=$WIENROOT:$PATH
>
> You are going in the right direction, but since I don't have ksh I can
> only guess. Someone else may know (Europe perhaps asleep now).
>
> On Wed, Oct 16, 2013 at 3:15 PM, Oliver Albertini <ora at georgetown.edu>
> wrote:
> > userconfig does not do anything for ksh, besides print a to-do list:
> >
> > !!! You are using neither csh, tcsh nor bashrc as your default !!!
> > shell. You will have to configure your system by hand
> >
> > *) add WIEN2k-directory to your seach-path
> > *) install aliases
> > *) set environment variable EDITOR to your prefered editor
> > *) set environment variable SCRATCH to your prefered scratch
> > path, to use the working directory set SCRATCH to "./"
> > *) set environment variable WIENROOT to your WIEN root directory
> > *) set environment variable W2WEB_CASE_BASEDIR to your WIEN cases
> > directory
> > *) set the "stacksize" to unlimited
> > *) set LD_LIBRARY_PATH (if necessary)
> > *) if you will be using parallel execution using rsh: edit your
> > ~/.rhosts file such that rlogin logs you on to the
> > selected systems without asking for a password
> > using ssh: generate keys (ssh_keygen) and distribute public key
> > Eventually you may have to ask your system administrator
> >
> > In ksh, the startup script for log-in is .profile, where I had put these
> > lines:
> >
> >
> PATH=/usr/bin:/etc:/usr/sbin:/usr/ucb:$HOME/bin:/usr/bin/X11:/sbin:/usr/vacpp/bin:/usr/bin/WIEN2k/13:/home/oliver/scripts:.
> > export WIEN_MPIRUN='poe _EXEC_ -procs _NP_'
> > export WIENROOT=/usr/bin/WIEN2k/13
> > export PATH
> > export W2WEB_CASE_BASEDIR=/home/oliver/data/wiendir
> > export SCRATCH=./
> > export EDITOR=vim
> > if [ -f $HOME/.kshrc -a -r $HOME/.kshrc ]; then
> > ENV=$HOME/.kshrc # set ENV if there is an rc file
> > export ENV
> > fi
> >
> > and in .kshrc (for all new shells, not just log-in) I also have the same
> > variable settings, minus the if statement.
> >
> > But it seems that the non-interactive shell receives a different path:
> >
> > $ ssh stblade02 exec /usr/bin/ksh < echo_path.sh
> >
> /usr/bin:/etc:/usr/sbin:/usr/ucb:/usr/bin/X11:/sbin:/usr/java5/jre/bin:/usr/java5/bin
> >
> >
> >
> >
> > On Wed, Oct 16, 2013 at 11:00 AM, Laurence Marks <
> L-marks at northwestern.edu>
> > wrote:
> >>
> >> You have to make sure that the executables path is known on the other
> >> nodes, It looks like you are using ksh (I am not very familiar with
> >> it) so you need to have appropriate lines in the initialization files
> >> ( .kshrc ??? as a guess) to set this up. The script .userconfig does
> >> this for bash/csh, not sure about ksh (never tried).
> >>
> >> On Wed, Oct 16, 2013 at 12:51 PM, Oliver Albertini <ora at georgetown.edu>
> >> wrote:
> >> > Hello,
> >> >
> >> > To run k-point parallel across different nodes, is it enough to simply
> >> > have
> >> > w2k installed on all the nodes along with pw-less ssh? I have pw-less
> >> > ssh
> >> > working among the nodes, but when I try to run another kpoint on
> another
> >> > node, the shell cannot find the executables:
> >> >
> >> > $ x lapw1 -p
> >> > starting parallel lapw1 at Wed Oct 16 10:48:53 PDT 2013
> >> > -> starting parallel LAPW1 jobs at Wed Oct 16 10:48:53 PDT 2013
> >> > running LAPW1 in parallel mode (using .machines)
> >> > 2 number_of_parallel_jobs
> >> > [1] 4653272
> >> > [2] 3605022
> >> > ksh: lapw1c: not found.
> >> > ksh: fixerror_lapw: not found.
> >> > ksh: /home/oliver/data/wiendir/benchmark/test_case: not found.
> >> > ksh: lapw1c: not found.
> >> > ksh: fixerror_lapw: not found.
> >> > [2] - Done ( ( $remote $machine[$p] ...
> >> > [1] + Done ( ( $remote $machine[$p] ...
> >> > stblade01(1) 0.000u 0.000s 0.1 0.00% 0+0k 0+0io 0pf+0w
> >> > stblade02(1) 0.000u 0.000s 0 0.00% 0+0k 0+0io 0pf+0w
> >> > test_case.scf1_1: A file or directory in the path name does not exist.
> >> > Summary of lapw1para:
> >> > stblade01 k=1 user=0 wallclock=6
> >> > stblade02 k=1 user=0 wallclock=0
> >> > 0.1u 0.1s 0:02 8% 0+0k 0+0io 0pf+0w
> >> >
> >> >
> >> > .machines:
> >> > 1:stblade01
> >> > 1:stblade02
> >> >
> >> > Sincerely,
> >> >
> >> > Oliver
> >> >
> >> >
> >>
> >>
> >>
> >> --
> >> Professor Laurence Marks
> >> Department of Materials Science and Engineering
> >> Northwestern University
> >> www.numis.northwestern.edu 1-847-491-3996
> >> "Research is to see what everybody else has seen, and to think what
> >> nobody else has thought"
> >> Albert Szent-Gyorgi
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at 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
> >
> >
>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu 1-847-491-3996
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
> _______________________________________________
> Wien mailing list
> Wien at 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
>
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