[Wien] LAPW2 crashed in parallel mode

[Peter Blaha]

 From the information you sent, I cannot tell where the problem is.

In any case, I'm attaching a further improved version of  x_lapw


Mohamad Monazam schrieb:
> Dear Prof. Blaha and Wien2k users
> 
> I am running wien2k10.1 in parallel mode for my case in Graphene and I 
> receive the following message in dayfile. I tried for my other cases 
> too, and received the same message. Is this a problem with x_lapw 
> already being expressed in mailing list or I am facing the something new.
> I have to  mention that I have successful running cases with this new 
> version.
> 
> best regards,
> Monazam
> 
> case.dayfile:
> 
> Calculating graphene_wien2k in 
> /data1/home/k3503/k358674/WIEN2k-DATA-DIR/graphene_wien2k
> on r1i0n3 with PID 4640
> using WIEN2k_10.1 (Release 7/6/2010) in /apps/WIEN2k_10/inst
> 
> 
>     start (Thu Jul  1 11:14:10 CEST 2010) with lapw0 (40/99 to go)
> 
>     cycle 1 (Thu Jul  1 11:14:10 CEST 2010) (40/99 to go)
> 
>  >   lapw0 -p (11:14:10) starting parallel lapw0 at Thu Jul  1 11:14:10 
> CEST 2010
> -------- .machine0 : processors
> running lapw0 in single mode
> 13.316u 0.200s 0:14.13 95.6% 0+0k 0+0io 0pf+0w
>  >   lapw1  -c -p   (11:14:25) starting parallel lapw1 at Thu Jul  1 
> 11:14:25 CEST 2010
> ->  starting parallel LAPW1 jobs at Thu Jul  1 11:14:25 CEST 2010
> running LAPW1 in parallel mode (using .machines)
> 24 number_of_parallel_jobs
>      r1i0n3(1) 646.352u 1.044s 5:28.02 197.3% 0+0k 0+0io 0pf+0w
>      r1i0n3(1) 818.171u 2.244s 6:58.42 196.0% 0+0k 0+0io 0pf+0w
>      r1i0n3(1) 807.222u 2.436s 6:53.09 195.9% 0+0k 0+0io 0pf+0w
>      r1i0n3(1) 847.012u 1.280s 7:08.71 197.8% 0+0k 0+0io 0pf+0w
>      r1i0n4(1) 829.719u 2.656s 7:05.20 195.7% 0+0k 0+0io 0pf+0w
>      r1i0n4(1) 629.955u 0.872s 5:20.02 197.1% 0+0k 0+0io 0pf+0w
>      r1i0n4(1) 783.356u 2.252s 6:41.88 195.4% 0+0k 0+0io 0pf+0w
>      r1i0n4(1) 834.484u 1.080s 7:02.45 197.7% 0+0k 0+0io 0pf+0w
>      r1i0n5(1) 625.551u 1.020s 5:17.96 197.0% 0+0k 0+0io 0pf+0w
>      r1i0n5(1) 680.154u 1.432s 5:44.99 197.5% 0+0k 0+0io 0pf+0w
>      r1i0n5(1) 734.349u 1.932s 6:13.81 196.9% 0+0k 0+0io 0pf+0w
>      r1i0n5(1) 735.977u 1.108s 6:12.98 197.6% 0+0k 0+0io 0pf+0w
>      r1i0n6(1) 642.716u 0.916s 5:26.40 197.1% 0+0k 0+0io 0pf+0w
>      r1i0n6(1) 767.131u 2.212s 6:31.39 196.5% 0+0k 0+0io 0pf+0w
>      r1i0n6(1) 781.212u 2.652s 6:38.29 196.8% 0+0k 0+0io 0pf+0w
>      r1i0n6(1) 793.573u 1.420s 6:42.68 197.4% 0+0k 0+0io 0pf+0w
>      r1i0n7(1) 816.483u 1.236s 6:53.05 197.9% 0+0k 0+0io 0pf+0w
>      r1i0n7(1) 640.756u 1.024s 5:25.69 197.0% 0+0k 0+0io 0pf+0w
>      r1i0n7(1) 768.432u 2.304s 6:33.80 195.7% 0+0k 0+0io 0pf+0w
>      r1i0n7(1) 794.593u 2.296s 6:45.66 196.4% 0+0k 0+0io 0pf+0w
>      r1i0n0(1) 850.205u 1.480s 7:10.92 197.6% 0+0k 0+0io 0pf+0w
>      r1i0n0(1) 828.679u 2.352s 7:04.04 195.9% 0+0k 0+0io 0pf+0w
>      r1i0n0(1) 656.889u 1.024s 5:33.49 197.2% 0+0k 0+0io 0pf+0w
>      r1i0n0(1) 836.792u 2.876s 7:08.81 195.8% 0+0k 0+0io 0pf+0w
>      r1i0n3(1) 634.839u 1.644s 5:24.42 196.1% 0+0k 0+0io 0pf+0w
>    Summary of lapw1para:
>    r1i0n3 k=5 user=3753.6 wallclock=1912.66
>    r1i0n4 k=4 user=3077.51 wallclock=1569.55
>    r1i0n5 k=4 user=2776.03 wallclock=1409.74
>    r1i0n6 k=4 user=2984.63 wallclock=1518.76
>    r1i0n7 k=4 user=3020.26 wallclock=1538.2
>    r1i0n0 k=4 user=3172.57 wallclock=1617.26
> 1.296u 1.856s 10:57.75 0.4% 0+0k 0+0io 0pf+0w
>  >   lapw2 -c  -p   (11:25:23) running LAPW2 in parallel mode
> **  LAPW2 crashed!
> 0.848u 0.960s 0:31.88 5.6% 0+0k 0+0io 0pf+0w
> error: command   /apps/WIEN2k_10/inst/lapw2cpara -c lapw2.def   failed
> 
>  >   stop error
> 
> 
> ------------------------------------------------------------------------
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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