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-ma...@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 <o...@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@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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