[Wien] Invitation to connect on LinkedIn
LinkedIn Xu Zuo requested to add you as a connection on LinkedIn: -- Saeid, I'd like to add you to my professional network on LinkedIn. - Xu Accept invitation from Xu Zuo http://www.linkedin.com/e/hkdd2o-h8mn6427-54/77q4aLF8a-dbNmmcGlp90DOvAVARfBOcUAZW3ymqWXObQhS/blk/I265023092_130/3wOtCVFbmdxnSVFbm8JrnpKqlZJrmZzbmNJpjRQnOpBtn9QfmhBt71BoSd1p65Lr6lOfP0PclYOej0Pcz0Rdz99bTcPqTB3dARGbPcPdPsTdzsMczALrCBxbOYWrSlI/eml-comm_invm-b-in_ac-inv28/?hs=falsetok=3G7IYIcvQdABs1 View profile of Xu Zuo http://www.linkedin.com/e/hkdd2o-h8mn6427-54/rso/89295785/LpDg/name/130766967_I265023092_130/?hs=falsetok=2HsmNo_hAdABs1 -- You are receiving Invitation emails. This email was intended for Saeid Jalali Asadabadi. Learn why this is included: http://www.linkedin.com/e/hkdd2o-h8mn6427-54/plh/http%3A%2F%2Fhelp%2Elinkedin%2Ecom%2Fapp%2Fanswers%2Fdetail%2Fa_id%2F4788/-GXI/?hs=falsetok=0JKemIefwdABs1 (c) 2012, LinkedIn Corporation. 2029 Stierlin Ct, Mountain View, CA 94043, USA. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121023/eb94565d/attachment.htm
[Wien] possible lapw1para bug?
Dear Colleagues, I want to run wien2k_07.3 in mpi parallelization. The lapw0para is OK. However, lapw1para stop with error. My .machines file is as following: .machines # 1:node17.emlab 1:node13.emlab lapw0:node17.emlab node13.emlab lapw1:node17.emlab node13.emlab lapw2:node17.emlab node13.emlab granularity:1 extrafine:1 - The case.dayfile is as following: case.dayfile lapw1 -up -p (03:10:34) starting parallel lapw1 at Sat Jan 26 03:10:3 4 EST 2008 - starting parallel LAPW1 jobs at Sat Jan 26 03:10:34 EST 2008 Sat Jan 26 03:10:34 EST 2008 - Setting up case case for parallel execution Sat Jan 26 03:10:34 EST 2008 - of LAPW1 Sat Jan 26 03:10:34 EST 2008 - running LAPW1 in parallel mode (using .machines) Granularity set to 1 Extrafine set 0.083u 0.415s 0:00.43 113.9%0+0k 0+200io 0pf+0w error: command /home/opt/wien2k_AMD/lapw1para -up uplapw1.def failed stop error -- If I run /home/opt/wien2k_AMD/lapw1para -up uplapw1.def directly, the stdout is following: stdout of lapw1para starting parallel lapw1 at Sat Jan 26 03:18:19 EST 2008 - starting parallel LAPW1 jobs at Sat Jan 26 03:18:19 EST 2008 Sat Jan 26 03:18:19 EST 2008 - Setting up case case for parallel execution Sat Jan 26 03:18:19 EST 2008 - of LAPW1 Sat Jan 26 03:18:19 EST 2008 - running LAPW1 in parallel mode (using .machines) Granularity set to 1 Extrafine set @: Expression Syntax. -- The last line seems to be the error message. I trace into the script lapw1para and locate that the error occurs at following segment: lapw1para # modify weights set i = 1 set sumn = 0 while ($i = $#weigh) @ weigh[$i] *= $klist @ weigh[$i] /= $sumw @ weigh[$i] /= $granularity if ($weigh[$i] == 0 ) then @ weigh[$i] ++ # oops, we divided by too big a number endif @ sumn += $weigh[$i] @ i ++ end However, k-point parallelization is OK for lapw1. Is this a bug of lapw1para? Or the .machines file is bad. Best Regards, Xu Zuo -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080130/ddd98d9f/attachment.html
[Wien] How to run lapw1 and lapw2 in mpi parallelization
Dear Colleagues, I want to run wien2k_07.3 in mpi parallelization. The lapw0para is OK. However, lapw1para stop with error. My .machines file is as following: .machines # 1:node17.emlab 1:node13.emlab lapw0:node17.emlab node13.emlab lapw1:node17.emlab node13.emlab lapw2:node17.emlab node13.emlab granularity:1 extrafine:1 - The case.dayfile is as following: case.dayfile lapw1 -up -p (03:10:34) starting parallel lapw1 at Sat Jan 26 03:10:3 4 EST 2008 - starting parallel LAPW1 jobs at Sat Jan 26 03:10:34 EST 2008 Sat Jan 26 03:10:34 EST 2008 - Setting up case case for parallel execution Sat Jan 26 03:10:34 EST 2008 - of LAPW1 Sat Jan 26 03:10:34 EST 2008 - running LAPW1 in parallel mode (using .machines) Granularity set to 1 Extrafine set 0.083u 0.415s 0:00.43 113.9%0+0k 0+200io 0pf+0w error: command /home/opt/wien2k_AMD/lapw1para -up uplapw1.def failed stop error -- If I run /home/opt/wien2k_AMD/lapw1para -up uplapw1.def directly, the stdout is following: stdout of lapw1para starting parallel lapw1 at Sat Jan 26 03:18:19 EST 2008 - starting parallel LAPW1 jobs at Sat Jan 26 03:18:19 EST 2008 Sat Jan 26 03:18:19 EST 2008 - Setting up case case for parallel execution Sat Jan 26 03:18:19 EST 2008 - of LAPW1 Sat Jan 26 03:18:19 EST 2008 - running LAPW1 in parallel mode (using .machines) Granularity set to 1 Extrafine set @: Expression Syntax. -- The last line seems to be the error message. I trace into the script lapw1para and locate that the error occurs at following segment: lapw1para # modify weights set i = 1 set sumn = 0 while ($i = $#weigh) @ weigh[$i] *= $klist @ weigh[$i] /= $sumw @ weigh[$i] /= $granularity if ($weigh[$i] == 0 ) then @ weigh[$i] ++ # oops, we divided by too big a number endif @ sumn += $weigh[$i] @ i ++ end However, k-point parallelization is OK for lapw1. I sincerely appreciate any reply. Best regards, Xu Zuo -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080126/dcb28f76/attachment.html
