[Wien] running k-point parallel across nodes

[Laurence Marks]

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
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>
>



-- 
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