[Wien] parallel task stops at the end of LAPW1

2009-07-21 Thread Pawel Lesniak
. .time1_ contains only localhost(18) I think the problem lies in command Could you please advice me something? at the end means that command will be executed in background, so script can carry on without waiting for command to be finished. Regards, Pawel Lesniak

[Wien] parallel task stops at the end of LAPW1

2009-07-23 Thread Pawel Lesniak
Lyudmila Dobysheva pisze: On Tuesday 21 July 2009 21:08:36 Pawel Lesniak wrote: Try running lapw1 uplapw1_1.def I have tried lapw1 uplapw1_1.def It works o'k. But if I make lapw1 uplapw1_1.def it comes to background, executes (normal CPU %, regular filling of the vector file

[Wien] (no subject)

2009-08-05 Thread Pawel Lesniak
/ ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien Take a look here: http://hartree-fock.blogspot.com/2009/02/wien2k-fedora-10-issue.html Pawel Lesniak

[Wien] failed compilation wien2k

2009-08-31 Thread Pawel Lesniak
Pawel Lesniak pisze: Jeff DeReus pisze: I am trying to compile WIEN2K_09 and running into some issues. I was hoping to get some assistance from the user community. I am running CentOS5.3 on dual core dell machines, intel non-commercial compilers and mkl. there is no mkl_em64t anywhere

[Wien] failed compilation wien2k

2009-08-31 Thread Pawel Lesniak
into difficulties later (with compilation). Regards, Pawel Lesniak

[Wien] Missing k-points in SGE job

2009-11-18 Thread Pawel Lesniak
Dear users, I was running parallel jobs on a supercomputer using SGE and WIEN2k_08 when I noticed a strange problem which causes my job to crash. Suppose that I'm running 84 k-points on 6 nodes, then each node will handle 14 k-points and so I should have six sets of k-point files each

[Wien] w2web proplem

2010-03-12 Thread Pawel Lesniak
W dniu 12.03.2010 21:50, Ibrahim, El-Said pisze: Hi I was installing wien2k and when I try to begin I find sal at sal-laptop:~$ w2web perl: warning: Setting locale failed. perl: warning: Please check that your locale settings: LANGUAGE = (unset), LC_ALL = (unset),

Re: [Wien] time difference among nodes

2015-09-25 Thread Pawel Lesniak
t is to prepare a job to run at the same time on the same node as Wien2K, consisting of several "ps auxww | grep ogando >> ${HOME}/ps.output; sleep 2" commands. It will give you some information on what's going on. Think of it as non-interactive top stored in text file. Best r