[Wien] A little help with wienk in parallel mode

Nilton nilton.dantas at gmail.com
Wed Dec 14 13:13:11 CET 2011


Dear wien2k users,
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.
-------------------------------this is the command I
used-----------------------------------------
[nilton at bodesking case]$ /home/nilton/mpich-1.2.7p1/bin/mpirun -v -np 6
-machinefile .machines /home/nilton/wien2k/run_lapw -p
---------------------------------------//---------------------------------------------------------------------------------------------------

---------------------------------this is the error mensages
----------------------------------------------------------------------------
[nilton at bodesking case]$ /home/nilton/mpich-1.2.7p1/bin/mpirun -v -np 6
-machinefile .machines /home/nilton/wien2k/run_lapw -p
running /home/nilton/wien2k/run_lapw on 6 LINUX ch_p4 processors
Created
/home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case/PI24784
ERROR: option -p4pg does not exist !
ERROR: option
/home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case/PI24784
does not exist !
ERROR: option -p4wd does not exist !
ERROR: option
/home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case
does not exist !
 LAPW0 END
@: Expression Syntax.

>   stop error

---------------------------------------------------------------------///-----------------------------------------------------

---------------------------------------Here is the content of
case.dayfile------------------------------
Calculating case in
/home/nilton/Doutorado/dftCalc/calWien/sny/snse/case/case_vol__-8.0/case
on bodesking.uefs.br with PID 24966
using WIEN2k_06.3 (Release 10/5/2006) in /home/nilton/wien2k6static


    start     (Tue Dec 13 17:47:12 BRT 2011) with lapw0 (40/99 to go)

    cycle 1     (Tue Dec 13 17:47:12 BRT 2011)     (40/99 to go)

>   lapw0 -p    (17:47:12) starting parallel lapw0 at Tue Dec 13 17:47:12
BRT 2011
-------- .machine0 : processors
running lapw0 in single mode
4.819u 0.097s 0:04.93 99.3%    0+0k 0+0io 0pf+0w
>   lapw1  -p      (17:47:17) starting parallel lapw1 at Tue Dec 13
17:47:17 BRT 2011
->  starting parallel LAPW1 jobs at Tue Dec 13 17:47:17 BRT 2011
running LAPW1 in parallel mode (using .machines)
0.015u 0.034s 0:00.05 80.0%    0+0k 0+0io 0pf+0w
error: command   /home/nilton/wien2k/lapw1para lapw1.def   failed

>   stop error

-----------------------------------------------------------------------------------------------------------

------------------Content of :parallel
file-------------------------------------------------------------
starting parallel lapw1 at Tue Dec 13 17:47:17 BRT 2011
_____________________________________________________________________________

Thanks in advance
Nilton


-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ciências Exatas
Área de Informática
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ <http://www.uefs.br/portal>
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