<div class="gmail_quote"><br>Dear wien2k users,<br>I need a little help with run wien2k in parallel mode. I have compiled the wienk11.1 in parallel mode, and it finished ok. i got lapw0para, lapw1_mpi, etc. But when I try to execute run_lapw -p I got some errors. you can see below the error mensages.<br>
-------------------------------this is the command I used-----------------------------------------<br>[nilton@bodesking case]$ /home/nilton/mpich-1.2.7p1/bin/mpirun -v -np 6 -machinefile .machines /home/nilton/wien2k/run_lapw -p<br>
---------------------------------------//---------------------------------------------------------------------------------------------------<br><br>---------------------------------this is the error mensages ----------------------------------------------------------------------------<br>
[nilton@bodesking case]$ /home/nilton/mpich-1.2.7p1/bin/mpirun -v -np 6 -machinefile .machines /home/nilton/wien2k/run_lapw -p<br>running /home/nilton/wien2k/run_lapw on 6 LINUX ch_p4 processors<br>Created /home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case/PI24784<br>
ERROR: option -p4pg does not exist !<br>ERROR: option /home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case/PI24784 does not exist !<br>ERROR: option -p4wd does not exist !<br>ERROR: option /home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case does not exist !<br>
LAPW0 END<br>@: Expression Syntax.<br><br>> stop error<br><br>---------------------------------------------------------------------///-----------------------------------------------------<br><br>---------------------------------------Here is the content of case.dayfile------------------------------<br>
Calculating case in /home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case<br>on <a href="http://bodesking.uefs.br" target="_blank">bodesking.uefs.br</a> with PID 24966<br>using WIEN2k_06.3 (Release 10/5/2006) in /home/nilton/wien2k6static<br>
<br><br> start (Tue Dec 13 17:47:12 BRT 2011) with lapw0 (40/99 to go)<br><br> cycle 1 (Tue Dec 13 17:47:12 BRT 2011) (40/99 to go)<br><br>> lapw0 -p (17:47:12) starting parallel lapw0 at Tue Dec 13 17:47:12 BRT 2011<br>
-------- .machine0 : processors<br>running lapw0 in single mode<br>4.819u 0.097s 0:04.93 99.3% 0+0k 0+0io 0pf+0w<br>> lapw1 -p (17:47:17) starting parallel lapw1 at Tue Dec 13 17:47:17 BRT 2011<br>-> starting parallel LAPW1 jobs at Tue Dec 13 17:47:17 BRT 2011<br>
running LAPW1 in parallel mode (using .machines)<br>0.015u 0.034s 0:00.05 80.0% 0+0k 0+0io 0pf+0w<br>error: command /home/nilton/wien2k/lapw1para lapw1.def failed<br><br>> stop error<br><br>-----------------------------------------------------------------------------------------------------------<br>
<br>------------------Content of :parallel file-------------------------------------------------------------<br>starting parallel lapw1 at Tue Dec 13 17:47:17 BRT 2011<br>_____________________________________________________________________________<br clear="all">
<br>Thanks in advance<br>Nilton<br></div><br clear="all"><div><br></div>-- <br>Nilton S. Dantas<br>Universidade Estadual de Feira de Santana<br>Departamento de Ciências Exatas<br>Área de Informática<br>Av. Transnordestina, S/N, Bairro Novo Horizonte<br>
CEP 44036900 - Feira de Santana, Bahia, Brasil<br>Tel./Fax +55 75 31618086<br><a href="http://www.uefs.br/portal" target="_blank">http://www2.ecomp.uefs.br/</a><br><br>