[Wien] I still have problem with wienk in parallel mode

Nilton nilton.dantas at gmail.com
Tue Dec 27 16:43:10 CET 2011


Dear P. Blaha,
sorry but I still have problem with wien in parallel mode.
I try set up the parallel options as you suggested and I got the error
message:

------------------------------------------------------message from
console------------------------------
[nilton at bodesking case]$ run_lapw -p
 LAPW0 END
cat: No match.
----------------------------------------------------------------------------------------------------

this is the content of my parallel_options file:
 --------------------------------------------------------------------------------------------------------------------
setenv USE_REMOTE 1
setenv WIEN_GRANULARITY 3
setenv WIEN_MPIRUN "mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_"
--------------------------------------------------------------------------------------------------------------------

you can see below that after lapw0 the lapw1c para is running. After this
the run_lapw stop.

-------------------------------------------------from top
---------------------------------------------------------------
  PID USER      PR  NI  VIRT  RES  SHR S %CPU %MEM    TIME+
COMMAND
 3957 root      15   0  393m  23m 7820 S  1.3  0.2   9:23.18
Xorg
11099 nilton    21   0 66468 1344  884 S  0.7  0.0   0:00.02
lapw1cpara
11038 nilton    15   0 12772 1184  828 R  0.3  0.0   0:00.04
top
11039 nilton    19   0 68684 1448  968 S  0.3  0.0   0:00.02
run_lapw
11090
--------------------------------------------------------------------------------------------------------------------------

----------------------------------------------from
case.dayfile--------------------------------------------------------------------------
Calculating case in
/home/nilton/pesquisa/dftCalc/calWien/gaxtl1-xas/050/case/case
on bodesking.uefs.br with PID 25425

    start     (Tue Dec 27 12:29:12 BRT 2011) with lapw0 (100/20 to go)

    cycle 1     (Tue Dec 27 12:29:12 BRT 2011)     (100/20 to go)

>   lapw0 -p    (12:29:12) starting parallel lapw0 at Tue Dec 27 12:29:12
BRT 2011
--------
running lapw0 in single mode
9.775u 0.276s 0:10.06 99.8%    0+0k 0+0io 0pf+0w
>   lapw1  -c -p     (12:29:22) starting parallel lapw1 at Tue Dec 27
12:29:22 BRT 2011
->  starting parallel LAPW1 jobs at Tue Dec 27 12:29:22 BRT 2011
running LAPW1 in parallel mode (using .machines)
5 number_of_parallel_jobs
**  LAPW1 crashed!
0.643u 0.849s 0:22.63 6.5%    0+0k 0+0io 0pf+0w
error: command   /home/nilton/wien2k/lapw1cpara -c lapw1.def   failed

>   stop error
------------------------------------------------------------------------------------------------------------------

----------------------------from .machines
file-----------------------------------------------------
1:bodesking.uefs.br:4
1:compute-0-0.local:4
1:compute-0-0.local:4
1:compute-0-1.local:4
1:compute-0-1.local:4

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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