<div dir="ltr">I enabled the path through ssh. In /etc/ssh/sshd_config:<div><br></div><div style>added PermitUserEnvironment = yes</div><div style><br></div><div style>and added the file ~/.ssh/environment with </div><div style>
PATH=/usr/bin/WIEN2k/13 in it. Now the following error appears on the remote node, the local node runs fine:<br></div><div style><div><br></div><div><br></div><div>Error in LAPW1</div><div> 'INILPW' - can't open definition file ^O������^@^@^@^@^@^@^@^A^O������`�^O���^M ^@^P^@| R^P </div>
<div> 'LAPW1' - INILPW aborted unsuccessfully.</div><div><br></div></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Oct 16, 2013 at 1:19 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">It may be that you need to add<br>
export PATH=$WIENROOT:$PATH<br>
<br>
You are going in the right direction, but since I don't have ksh I can<br>
only guess. Someone else may know (Europe perhaps asleep now).<br>
<div class="HOEnZb"><div class="h5"><br>
On Wed, Oct 16, 2013 at 3:15 PM, Oliver Albertini <<a href="mailto:ora@georgetown.edu">ora@georgetown.edu</a>> wrote:<br>
> userconfig does not do anything for ksh, besides print a to-do list:<br>
><br>
> !!! You are using neither csh, tcsh nor bashrc as your default !!!<br>
> shell. You will have to configure your system by hand<br>
><br>
> *) add WIEN2k-directory to your seach-path<br>
> *) install aliases<br>
> *) set environment variable EDITOR to your prefered editor<br>
> *) set environment variable SCRATCH to your prefered scratch<br>
> path, to use the working directory set SCRATCH to "./"<br>
> *) set environment variable WIENROOT to your WIEN root directory<br>
> *) set environment variable W2WEB_CASE_BASEDIR to your WIEN cases<br>
> directory<br>
> *) set the "stacksize" to unlimited<br>
> *) set LD_LIBRARY_PATH (if necessary)<br>
> *) if you will be using parallel execution using rsh: edit your<br>
> ~/.rhosts file such that rlogin logs you on to the<br>
> selected systems without asking for a password<br>
> using ssh: generate keys (ssh_keygen) and distribute public key<br>
> Eventually you may have to ask your system administrator<br>
><br>
> In ksh, the startup script for log-in is .profile, where I had put these<br>
> lines:<br>
><br>
> PATH=/usr/bin:/etc:/usr/sbin:/usr/ucb:$HOME/bin:/usr/bin/X11:/sbin:/usr/vacpp/bin:/usr/bin/WIEN2k/13:/home/oliver/scripts:.<br>
> export WIEN_MPIRUN='poe _EXEC_ -procs _NP_'<br>
> export WIENROOT=/usr/bin/WIEN2k/13<br>
> export PATH<br>
> export W2WEB_CASE_BASEDIR=/home/oliver/data/wiendir<br>
> export SCRATCH=./<br>
> export EDITOR=vim<br>
> if [ -f $HOME/.kshrc -a -r $HOME/.kshrc ]; then<br>
> ENV=$HOME/.kshrc # set ENV if there is an rc file<br>
> export ENV<br>
> fi<br>
><br>
> and in .kshrc (for all new shells, not just log-in) I also have the same<br>
> variable settings, minus the if statement.<br>
><br>
> But it seems that the non-interactive shell receives a different path:<br>
><br>
> $ ssh stblade02 exec /usr/bin/ksh < echo_path.sh<br>
> /usr/bin:/etc:/usr/sbin:/usr/ucb:/usr/bin/X11:/sbin:/usr/java5/jre/bin:/usr/java5/bin<br>
><br>
><br>
><br>
><br>
> On Wed, Oct 16, 2013 at 11:00 AM, Laurence Marks <<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>><br>
> wrote:<br>
>><br>
</div></div><div class="HOEnZb"><div class="h5">>> You have to make sure that the executables path is known on the other<br>
>> nodes, It looks like you are using ksh (I am not very familiar with<br>
>> it) so you need to have appropriate lines in the initialization files<br>
>> ( .kshrc ??? as a guess) to set this up. The script .userconfig does<br>
>> this for bash/csh, not sure about ksh (never tried).<br>
>><br>
>> On Wed, Oct 16, 2013 at 12:51 PM, Oliver Albertini <<a href="mailto:ora@georgetown.edu">ora@georgetown.edu</a>><br>
>> wrote:<br>
>> > Hello,<br>
>> ><br>
>> > To run k-point parallel across different nodes, is it enough to simply<br>
>> > have<br>
>> > w2k installed on all the nodes along with pw-less ssh? I have pw-less<br>
>> > ssh<br>
>> > working among the nodes, but when I try to run another kpoint on another<br>
>> > node, the shell cannot find the executables:<br>
>> ><br>
>> > $ x lapw1 -p<br>
>> > starting parallel lapw1 at Wed Oct 16 10:48:53 PDT 2013<br>
>> > -> starting parallel LAPW1 jobs at Wed Oct 16 10:48:53 PDT 2013<br>
>> > running LAPW1 in parallel mode (using .machines)<br>
>> > 2 number_of_parallel_jobs<br>
>> > [1] 4653272<br>
>> > [2] 3605022<br>
>> > ksh: lapw1c: not found.<br>
>> > ksh: fixerror_lapw: not found.<br>
>> > ksh: /home/oliver/data/wiendir/benchmark/test_case: not found.<br>
>> > ksh: lapw1c: not found.<br>
>> > ksh: fixerror_lapw: not found.<br>
>> > [2] - Done ( ( $remote $machine[$p] ...<br>
>> > [1] + Done ( ( $remote $machine[$p] ...<br>
>> > stblade01(1) 0.000u 0.000s 0.1 0.00% 0+0k 0+0io 0pf+0w<br>
>> > stblade02(1) 0.000u 0.000s 0 0.00% 0+0k 0+0io 0pf+0w<br>
>> > test_case.scf1_1: A file or directory in the path name does not exist.<br>
>> > Summary of lapw1para:<br>
>> > stblade01 k=1 user=0 wallclock=6<br>
>> > stblade02 k=1 user=0 wallclock=0<br>
>> > 0.1u 0.1s 0:02 8% 0+0k 0+0io 0pf+0w<br>
>> ><br>
>> ><br>
>> > .machines:<br>
>> > 1:stblade01<br>
>> > 1:stblade02<br>
>> ><br>
>> > Sincerely,<br>
>> ><br>
>> > Oliver<br>
>> ><br>
>> ><br>
>><br>
>><br>
>><br>
>> --<br>
>> Professor Laurence Marks<br>
>> Department of Materials Science and Engineering<br>
>> Northwestern University<br>
>> <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <a href="tel:1-847-491-3996" value="+18474913996">1-847-491-3996</a><br>
>> "Research is to see what everybody else has seen, and to think what<br>
>> nobody else has thought"<br>
>> Albert Szent-Gyorgi<br>
>> _______________________________________________<br>
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><br>
><br>
<br>
<br>
<br>
--<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <a href="tel:1-847-491-3996" value="+18474913996">1-847-491-3996</a><br>
"Research is to see what everybody else has seen, and to think what<br>
nobody else has thought"<br>
Albert Szent-Gyorgi<br>
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</div></div></blockquote></div><br></div>