Calculating FeSi in /mnt/p06/8774jtomczak on n142 with PID 30346 start Fri Jul 8 13:52:00 2011 with lapw0 (1/100 to go) cycle 0 Fri Jul 8 13:52:00 2011 5/5 to go >lapw0 ( 13:52:00 ) 2.642u 0.035s 0:02.76 96.7% 0+0k 4208+1360io 1pf+0w >lapw1 -c ( 13:52:03 ) 279.778u 4.764s 4:48.26 98.7% 0+0k 3808+821808io 1pf+0w >dmft0 ( 13:56:52 ) DMFT END >dmft1 ( 13:58:40 ) 0.01user 0.03system 0:25.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 01:30:06 ) 0.03user 0.04system 1:18.83elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:31:25 ) 0.011u 0.010s 0:00.18 11.1% 0+0k 2168+880io 1pf+0w >mixer ( 01:31:25 ) 0.094u 0.025s 0:00.23 47.8% 0+0k 3072+2216io 1pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.0001608 :EF convergence: 8.41381e-05 :ITT1 cycle 1 Sat Jul 9 01:31:25 2011 4/4 to go >lapw0 ( 01:31:25 ) 2.691u 0.035s 0:02.76 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:31:28 ) 279.162u 4.768s 4:47.08 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:36:16 ) 0.02user 0.04system 1:09.14elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:37:25 ) 0.016u 0.006s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:37:25 ) 0.059u 0.026s 0:00.14 50.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.20000004245e-05 :CHARGE convergence: 0.0001313 :EF convergence: -7.70873e-05 :ITT2 cycle 1 Sat Jul 9 01:37:25 2011 4/4 to go >lapw0 ( 01:37:25 ) 2.786u 0.037s 0:02.85 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:37:28 ) 279.214u 4.790s 4:46.96 98.9% 0+0k 0+821800io 0pf+0w >dmft2 ( 01:42:16 ) 0.03user 0.04system 1:12.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:43:28 ) 0.015u 0.010s 0:00.05 40.0% 0+0k 0+880io 0pf+0w >mixer ( 01:43:28 ) 0.055u 0.020s 0:00.13 53.8% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 6.00000003033e-05 :CHARGE convergence: 3.21e-05 :EF convergence: -0.0003782419 :ITT3 cycle 1 Sat Jul 9 01:43:29 2011 4/4 to go >lapw0 ( 01:43:29 ) 2.836u 0.031s 0:02.90 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:43:31 ) 278.993u 4.806s 4:46.68 98.9% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:48:18 ) 0.03user 0.05system 1:29.23elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:49:48 ) 0.014u 0.005s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:49:48 ) 0.085u 0.022s 0:00.15 66.6% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 2.00000067707e-06 :CHARGE convergence: 2.91e-05 :EF convergence: 8.4938e-06 :ITT1 cycle 2 Sat Jul 9 01:49:48 2011 3/3 to go >lapw0 ( 01:49:48 ) 2.760u 0.030s 0:02.83 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:49:51 ) 278.872u 4.774s 4:46.47 99.0% 0+0k 0+821808io 0pf+0w >dmft0 ( 01:54:38 ) DMFT END >dmft1 ( 01:56:26 ) 0.01user 0.02system 0:25.86elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:22:16 ) 0.02user 0.04system 1:03.53elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:23:20 ) 0.014u 0.005s 0:00.06 16.6% 0+0k 0+880io 0pf+0w >mixer ( 13:23:20 ) 0.058u 0.017s 0:00.14 42.8% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00249200000144 :CHARGE convergence: 5.1e-05 :EF convergence: -0.0003596791 :ITT1 cycle 2 Sat Jul 9 13:23:20 2011 3/3 to go >lapw0 ( 13:23:20 ) 2.795u 0.031s 0:02.86 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:23:23 ) 278.437u 4.770s 4:46.48 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:28:10 ) 0.02user 0.05system 1:27.76elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:29:38 ) 0.010u 0.008s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 13:29:38 ) 0.087u 0.022s 0:00.16 62.5% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 7.99999907031e-06 :CHARGE convergence: 3.71e-05 :EF convergence: 3.30629e-05 :ITT2 cycle 2 Sat Jul 9 13:29:38 2011 3/3 to go >lapw0 ( 13:29:38 ) 2.748u 0.032s 0:02.82 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:29:41 ) 278.241u 4.824s 4:46.27 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:34:28 ) 0.02user 0.04system 1:08.18elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:35:36 ) 0.027u 0.011s 0:00.07 42.8% 0+0k 0+880io 0pf+0w >mixer ( 13:35:36 ) 0.101u 0.025s 0:00.18 66.6% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.10000000859e-05 :CHARGE convergence: 5.52e-05 :EF convergence: -4.53885e-05 :ITT3 cycle 2 Sat Jul 9 13:35:37 2011 3/3 to go >lapw0 ( 13:35:37 ) 2.811u 0.042s 0:02.88 98.9% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:35:39 ) 278.261u 4.800s 4:46.94 98.6% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:40:27 ) 0.02user 0.04system 1:28.16elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:41:55 ) 0.025u 0.003s 0:00.05 40.0% 0+0k 0+880io 0pf+0w >mixer ( 13:41:55 ) 0.077u 0.019s 0:00.15 53.3% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 2.40000008489e-05 :CHARGE convergence: 1.3e-05 :EF convergence: 0.0001152424 :ITT1 cycle 3 Sat Jul 9 13:41:55 2011 2/2 to go >lapw0 ( 13:41:55 ) 2.836u 0.028s 0:02.89 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:41:58 ) 278.822u 4.769s 4:47.36 98.6% 0+0k 0+821808io 0pf+0w >dmft0 ( 13:46:46 ) DMFT END >dmft1 ( 13:48:35 ) 0.02user 0.03system 0:25.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 01:21:36 ) 0.03user 0.05system 1:19.62elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:22:56 ) 0.030u 0.006s 0:00.11 27.2% 0+0k 0+880io 0pf+0w >mixer ( 01:22:56 ) 0.100u 0.029s 0:00.22 54.5% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.0032599999995 :CHARGE convergence: 5.97e-05 :EF convergence: 0.0003942216 :ITT1 cycle 3 Sun Jul 10 01:22:56 2011 2/2 to go >lapw0 ( 01:22:56 ) 2.811u 0.038s 0:02.95 96.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:22:59 ) 278.649u 4.739s 4:46.46 98.9% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:27:46 ) 0.04user 0.04system 1:35.18elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:29:21 ) 0.014u 0.008s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:29:21 ) 0.066u 0.029s 0:00.17 47.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.99999885808e-06 :CHARGE convergence: 5.23e-05 :EF convergence: 1.68393e-05 :ITT2 cycle 3 Sun Jul 10 01:29:22 2011 2/2 to go >lapw0 ( 01:29:22 ) 2.782u 0.031s 0:02.86 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:29:25 ) 278.431u 4.705s 4:46.62 98.7% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:34:12 ) 0.03user 0.05system 1:10.93elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:35:23 ) 0.027u 0.011s 0:00.07 42.8% 0+0k 0+880io 0pf+0w >mixer ( 01:35:23 ) 0.103u 0.029s 0:00.17 70.5% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 3.99999953515e-06 :CHARGE convergence: 6.02e-05 :EF convergence: -2.00431e-05 :ITT3 cycle 3 Sun Jul 10 01:35:23 2011 2/2 to go >lapw0 ( 01:35:23 ) 2.634u 0.040s 0:02.71 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:35:26 ) 278.520u 4.790s 4:46.56 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:40:13 ) 0.03user 0.03system 1:36.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:41:49 ) 0.014u 0.007s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:41:50 ) 0.109u 0.024s 0:00.20 60.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 2.99999919662e-06 :CHARGE convergence: 5.64e-05 :EF convergence: 1.03433e-05 :ITT1 cycle 4 Sun Jul 10 01:41:50 2011 1/1 to go >lapw0 ( 01:41:50 ) 2.723u 0.031s 0:02.80 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:41:53 ) 278.044u 4.765s 4:46.90 98.5% 0+0k 0+821808io 0pf+0w >dmft0 ( 01:46:40 ) DMFT END >dmft1 ( 01:48:29 ) 0.01user 0.02system 0:25.84elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:09:07 ) 0.03user 0.05system 1:16.08elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:10:23 ) 0.017u 0.004s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 13:10:24 ) 0.111u 0.024s 0:00.20 65.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000409000000218 :CHARGE convergence: 2.63e-05 :EF convergence: 0.000196525 :ITT1 cycle 4 Sun Jul 10 13:10:24 2011 1/1 to go >lapw0 ( 13:10:24 ) 2.678u 0.040s 0:02.75 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:10:27 ) 278.365u 4.639s 4:46.30 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:15:14 ) 0.03user 0.04system 1:11.28elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:16:25 ) 0.012u 0.008s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 13:16:25 ) 0.068u 0.023s 0:00.15 53.3% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.99999885808e-06 :CHARGE convergence: 2.48e-05 :EF convergence: -6.6739e-06 :ITT2 cycle 4 Sun Jul 10 13:16:25 2011 1/1 to go >lapw0 ( 13:16:25 ) 2.772u 0.039s 0:02.85 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:16:28 ) 278.527u 4.817s 4:55.13 96.0% 0+0k 0+821792io 0pf+0w >dmft2 ( 13:21:24 ) 0.02user 0.05system 1:50.89elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:23:15 ) 0.014u 0.006s 0:00.04 25.0% 0+0k 0+880io 0pf+0w >mixer ( 13:23:16 ) 0.109u 0.025s 0:00.18 66.6% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.99999885808e-06 :CHARGE convergence: 2.67e-05 :EF convergence: 8.9555e-06 :ITT3 cycle 4 Sun Jul 10 13:23:16 2011 1/1 to go >lapw0 ( 13:23:16 ) 2.672u 0.035s 0:02.77 97.4% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:23:19 ) 278.660u 4.804s 4:49.62 97.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:28:09 ) 0.02user 0.04system 1:08.64elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:29:17 ) 0.015u 0.006s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 13:29:18 ) 0.111u 0.025s 0:00.18 72.2% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 3.99999953515e-06 :CHARGE convergence: 2.24e-05 :EF convergence: -2.13701e-05 :ITT1 cycle 5 Sun Jul 10 13:29:18 2011 0/0 to go >lapw0 ( 13:29:18 ) 2.674u 0.037s 0:02.74 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:29:21 ) 278.910u 4.767s 4:46.63 98.9% 0+0k 0+821800io 0pf+0w >dmft0 ( 13:34:08 ) DMFT END >dmft1 ( 13:35:57 ) 0.02user 0.02system 0:25.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 00:56:31 ) 0.02user 0.04system 1:19.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 00:57:51 ) 0.015u 0.005s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 00:57:51 ) 0.093u 0.021s 0:00.17 64.7% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00224800000069 :CHARGE convergence: 2.31e-05 :EF convergence: 0.000220954 :ITT1 cycle 5 Mon Jul 11 00:57:51 2011 0/0 to go >lapw0 ( 00:57:51 ) 2.738u 0.039s 0:02.81 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 00:57:54 ) 279.679u 4.834s 4:47.57 98.9% 0+0k 0+821800io 0pf+0w >dmft2 ( 01:02:42 ) 0.02user 0.03system 1:29.61elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:04:12 ) 0.018u 0.007s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:04:12 ) 0.113u 0.022s 0:00.22 59.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 6.00000021223e-06 :CHARGE convergence: 3.43e-05 :EF convergence: 5.20519e-05 :ITT2 cycle 5 Mon Jul 11 01:04:13 2011 0/0 to go >lapw0 ( 01:04:13 ) 2.659u 0.041s 0:02.73 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:04:15 ) 279.681u 4.740s 4:47.91 98.7% 0+0k 0+821808io 0pf+0w >dmft2 ( 01:09:04 ) 0.02user 0.04system 1:29.20elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:10:33 ) 0.013u 0.005s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 01:10:33 ) 0.114u 0.025s 0:00.20 65.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 1.99999885808e-06 :CHARGE convergence: 3.63e-05 :EF convergence: 9.3313e-06 :ITT3 cycle 5 Mon Jul 11 01:10:33 2011 0/0 to go >lapw0 ( 01:10:33 ) 2.698u 0.038s 0:02.78 97.8% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:10:36 ) 279.535u 4.910s 4:47.65 98.8% 0+0k 0+821800io 0pf+0w >dmft2 ( 01:15:24 ) 0.02user 0.05system 1:28.23elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 01:16:53 ) 0.030u 0.007s 0:00.07 42.8% 0+0k 0+880io 0pf+0w >mixer ( 01:16:53 ) 0.112u 0.025s 0:00.20 65.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 6.00000021223e-06 :CHARGE convergence: 4.63e-05 :EF convergence: 3.45159e-05 :ITT1 cycle 6 Mon Jul 11 01:16:53 2011 -1/99 to go >lapw0 ( 01:16:53 ) 2.797u 0.037s 0:02.87 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 01:16:56 ) 279.726u 4.793s 4:48.07 98.7% 0+0k 0+821792io 0pf+0w