[Wien] Spin Orbit calculation

[Brahim ABRAIME]

I use parallel calculation

When I choose spin orbit in the self consistent calculation it does not
work,but spin polarized calculation work without any problem

With spin orbit,it says: "error in parallel LAPWSO"


And this is the dayfile:


*>   stop error*

*error: command   /export/users/softmgr/wien2k_13/lapwsopara -up lapwso.def
  failed*
*0.2u 0.1s 0:06.59 5.7% 0+0k 1328+1048io 16pf+0w*
***  LAPWSO crashed!*
*>   lapwso -up  -p   (14:59:40) running LAPWSO in parallel mode*
*0.8u 0.4s 12:20.35 0.1% 0+0k 80+1368io 2pf+0w*
*   ubuntu3 k=12 user=646.573 wallclock=657.44*
*   ubuntu2 k=12 user=625.837 wallclock=1469.3*
*   ubuntu1 k=12 user=650.56 wallclock=661.94*
*   Summary of lapw1para:*
*     ubuntu3(6) 320.568u 2.421s 5:25.58 99.2% 0+0k 16+247880io 0pf+0w*
*     ubuntu3(6) 326.005u 2.438s 5:31.86 98.9% 0+0k 7520+248400io 0pf+0w*
*     ubuntu2(6) 312.346u 3.215s 12:11.90 43.1% 0+0k 16+249160io 0pf+0w*
*     ubuntu2(6) 313.491u 4.339s 12:17.40 43.1% 0+0k 1840+278960io 9pf+0w*
*     ubuntu1(6) 322.960u 3.014s 5:27.96 99.3% 0+0k 16+248584io 0pf+0w*
*     ubuntu1(6) 327.600u 1.931s 5:33.98 98.6% 0+0k 7520+255768io 0pf+0w*
*6 number_of_parallel_jobs*
*running LAPW1 in parallel mode (using .machines.help)*
*->  starting parallel LAPW1 jobs at خ ينا 22 14:47:20 WET 2015*
*>   lapw1  -dn -p     (14:47:20) starting parallel lapw1 at خ ينا 22
14:47:20 WET 2015*
*0.8u 0.4s 11:47.38 0.1% 0+0k 632+1384io 8pf+0w*
*   ubuntu3 k=12 user=634.516 wallclock=648.84*
*   ubuntu2 k=12 user=614.464 wallclock=1405.39*
*   ubuntu1 k=12 user=640.877 wallclock=654.28*
*   Summary of lapw1para:*
*     ubuntu3(6) 314.829u 2.519s 5:20.78 98.9% 0+0k 1864+249856io 0pf+0w*
*     ubuntu3(6) 319.687u 2.459s 5:28.06 98.1% 0+0k 5696+250448io 0pf+0w*
*     ubuntu2(6) 307.444u 3.537s 11:44.61 44.1% 0+0k 3168+252984io 20pf+0w*
*     ubuntu2(6) 307.020u 3.027s 11:40.78 44.2% 0+0k 2808+256136io 16pf+0w*
*     ubuntu1(6) 317.757u 3.124s 5:25.38 98.6% 0+0k 1864+250688io 0pf+0w*
*     ubuntu1(6) 323.120u 1.893s 5:28.90 98.8% 0+0k 5696+257752io 0pf+0w*
*6 number_of_parallel_jobs*
*running LAPW1 in parallel mode (using .machines)*
*->  starting parallel LAPW1 jobs at خ ينا 22 14:35:32 WET 2015*
*>   lapw1  -up -p     (14:35:32) starting parallel lapw1 at خ ينا 22
14:35:32 WET 2015*
*15.0u 0.2s 0:30.39 50.0% 0+0k 592+15552io 7pf+0w*
*running lapw0 in single mode*
*-------- .machine0 : processors*
*>   lapw0 -p (14:35:02) starting parallel lapw0 at خ ينا 22 14:35:02
WET 2015*

*    cycle 1 (خ ينا 22 14:35:02 WET 2015) (400/99 to go)*

*    start (خ ينا 22 14:35:02 WET 2015) with lapw0 (400/99 to go)*


*using WIEN2k_13.1 (Release 17/6/2013) in /export/users/softmgr/wien2k_13*
*on ubuntu2 with PID 26312*
*Calculating HoMn2O5-unitcell in
/export/users/user1/WIEN2k/tamerd/HoMn2O5-spinorbit/HoMn2O5-unitcell*




2015-01-22 13:09 GMT+00:00 Lyudmila Dobysheva <lyuka17 at mail.ru>:

> On 22.01.2015 15:24, Brahim ABRAIME wrote:
>
>> I would like to know how to do parallel execution with spin orbit
>> calculation because it does not work for me
>>
>
> You are to describe in details how it does not work.
> Without information nobody can help.
>
> Best wishes
>   Lyudmila Dobysheva
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-- 



*Cordialement*******************************

*B.ABRAIME*

*PhD au laboratoire de magnétisme et physique des hautes énergies*

*LMPHE*

*Faculté des sciences Rabat*
*Université Mohamed V*

*GSM: (+212) 6 72 48 67 77*******************************
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