[Wien] running k-point parallel across nodes

[Oliver Albertini]

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
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