Calculating FeSi in /mnt/p06/6703jtomczak on n141 with PID 22912 start Fri May 20 17:49:59 2011 with lapw0 (1/100 to go) cycle 0 Fri May 20 17:49:59 2011 5/5 to go >lapw0 ( 17:49:59 ) 2.788u 0.035s 0:02.88 97.5% 0+0k 4208+1360io 1pf+0w >lapw1 -c ( 17:50:02 ) 279.177u 4.690s 4:46.99 98.9% 0+0k 3808+821808io 1pf+0w >dmft1 ( 17:54:50 ) 0.00user 0.01system 0:51.94elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:57:39 ) 0.02user 0.02system 0:57.14elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:58:36 ) 0.027u 0.011s 0:00.13 23.0% 0+0k 2168+880io 1pf+0w >mixer ( 14:58:36 ) 0.096u 0.024s 0:00.22 50.0% 0+0k 3072+2216io 1pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.000884 :EF convergence: 0 :ITT1 cycle 1 Sat May 21 14:58:36 2011 4/4 to go >lapw0 ( 14:58:36 ) 2.701u 0.031s 0:02.78 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 14:58:39 ) 280.510u 4.715s 4:47.72 99.1% 0+0k 0+821800io 0pf+0w >dmft2 ( 15:03:27 ) 0.01user 0.02system 1:01.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 15:04:29 ) 0.015u 0.008s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 15:04:29 ) 0.058u 0.017s 0:00.13 46.1% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.0020689999983 :CHARGE convergence: 0.0005276 :EF convergence: 0 :ITT2 cycle 1 Sat May 21 15:04:29 2011 4/4 to go >lapw0 ( 15:04:29 ) 2.641u 0.029s 0:02.70 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 15:04:32 ) 280.214u 4.673s 4:48.05 98.8% 0+0k 0+821800io 0pf+0w >dmft2 ( 15:09:21 ) 0.02user 0.02system 1:01.09elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 15:10:22 ) 0.015u 0.006s 0:00.06 16.6% 0+0k 0+880io 0pf+0w >mixer ( 15:10:22 ) 0.098u 0.027s 0:00.19 57.8% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00228900000002 :CHARGE convergence: 0.0002964 :EF convergence: 0 :ITT3 cycle 1 Sat May 21 15:10:22 2011 4/4 to go >lapw0 ( 15:10:22 ) 2.702u 0.034s 0:02.77 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 15:10:25 ) 279.704u 4.687s 4:47.57 98.8% 0+0k 0+821800io 0pf+0w >dmft2 ( 15:15:13 ) 0.01user 0.01system 1:00.93elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 15:16:14 ) 0.016u 0.006s 0:00.07 14.2% 0+0k 0+880io 0pf+0w >mixer ( 15:16:14 ) 0.058u 0.019s 0:00.15 40.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000444000001153 :CHARGE convergence: 0.0001652 :EF convergence: 0 :ITT1 cycle 2 Sat May 21 15:16:15 2011 3/3 to go >lapw0 ( 15:16:15 ) 2.832u 0.027s 0:02.90 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 15:16:17 ) 280.036u 4.757s 4:47.81 98.9% 0+0k 0+821808io 0pf+0w >dmft1 ( 15:21:06 ) 0.01user 0.02system 0:53.84elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:52:13 ) 0.01user 0.02system 0:57.83elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:53:11 ) 0.012u 0.005s 0:00.09 11.1% 0+0k 0+880io 0pf+0w >mixer ( 13:53:11 ) 0.057u 0.026s 0:00.18 38.8% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00864299999921 :CHARGE convergence: 0.0008607 :EF convergence: 0 :ITT1 cycle 2 Sun May 22 13:53:11 2011 3/3 to go >lapw0 ( 13:53:11 ) 2.770u 0.033s 0:02.87 97.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:53:14 ) 280.422u 4.923s 4:48.08 99.0% 0+0k 0+821808io 0pf+0w >dmft2 ( 13:58:03 ) 0.01user 0.02system 1:01.59elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:59:05 ) 0.014u 0.007s 0:00.06 16.6% 0+0k 0+880io 0pf+0w >mixer ( 13:59:05 ) 0.078u 0.030s 0:00.16 62.5% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00167899999906 :CHARGE convergence: 0.0005699 :EF convergence: 0 :ITT2 cycle 2 Sun May 22 13:59:05 2011 3/3 to go >lapw0 ( 13:59:05 ) 2.780u 0.035s 0:02.85 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 13:59:08 ) 279.309u 4.943s 4:50.86 97.7% 0+0k 0+821808io 0pf+0w >dmft2 ( 14:03:59 ) 0.02user 0.02system 1:00.54elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:05:00 ) 0.034u 0.006s 0:00.07 42.8% 0+0k 0+880io 0pf+0w >mixer ( 14:05:00 ) 0.100u 0.030s 0:00.17 76.4% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00046199999997 :CHARGE convergence: 0.0006425 :EF convergence: 0 :ITT3 cycle 2 Sun May 22 14:05:00 2011 3/3 to go >lapw0 ( 14:05:00 ) 2.824u 0.040s 0:02.90 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 14:05:03 ) 280.663u 4.997s 4:49.57 98.6% 0+0k 0+821808io 0pf+0w >dmft2 ( 14:09:53 ) 0.01user 0.02system 1:01.08elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:10:55 ) 0.030u 0.009s 0:00.19 15.7% 0+0k 0+880io 0pf+0w >mixer ( 14:10:55 ) 0.106u 0.026s 0:00.18 66.6% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00216 :CHARGE convergence: 0.0009209 :EF convergence: 0 :ITT1 cycle 3 Sun May 22 14:10:55 2011 2/2 to go >lapw0 ( 14:10:55 ) 2.838u 0.031s 0:02.91 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 14:10:58 ) 280.371u 4.966s 4:49.45 98.5% 0+0k 0+821808io 0pf+0w >dmft1 ( 14:15:48 ) 0.00user 0.02system 0:53.28elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 11:27:05 ) 0.01user 0.02system 0:57.26elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:28:02 ) 0.030u 0.004s 0:00.13 23.0% 0+0k 0+880io 0pf+0w >mixer ( 11:28:03 ) 0.105u 0.031s 0:00.24 54.1% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00991400000021 :CHARGE convergence: 0.0007 :EF convergence: 0 :ITT1 cycle 3 Mon May 23 11:28:03 2011 2/2 to go >lapw0 ( 11:28:03 ) 2.668u 0.029s 0:02.78 96.4% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 11:28:06 ) 279.003u 4.732s 4:47.17 98.8% 0+0k 0+821800io 0pf+0w >dmft2 ( 11:32:53 ) 0.01user 0.02system 1:01.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:33:55 ) 0.015u 0.005s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 11:33:55 ) 0.105u 0.024s 0:00.17 70.5% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000581000000238 :CHARGE convergence: 0.0005794 :EF convergence: 0 :ITT2 cycle 3 Mon May 23 11:33:55 2011 2/2 to go >lapw0 ( 11:33:55 ) 2.736u 0.038s 0:02.81 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 11:33:58 ) 279.750u 4.633s 4:47.63 98.8% 0+0k 0+821792io 0pf+0w >dmft2 ( 11:38:46 ) 0.01user 0.03system 1:01.89elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:39:48 ) 0.030u 0.013s 0:00.07 57.1% 0+0k 0+880io 0pf+0w >mixer ( 11:39:48 ) 0.106u 0.031s 0:00.17 76.4% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000658999999359 :CHARGE convergence: 0.0005962 :EF convergence: 0 :ITT3 cycle 3 Mon May 23 11:39:49 2011 2/2 to go >lapw0 ( 11:39:49 ) 2.765u 0.040s 0:02.85 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 11:39:52 ) 279.575u 4.698s 4:47.92 98.7% 0+0k 0+821808io 0pf+0w >dmft2 ( 11:44:40 ) 0.01user 0.03system 1:01.67elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 11:45:42 ) 0.014u 0.010s 0:00.05 40.0% 0+0k 0+880io 0pf+0w >mixer ( 11:45:42 ) 0.055u 0.021s 0:00.12 58.3% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000292999999147 :CHARGE convergence: 0.0006033 :EF convergence: 0 :ITT1 cycle 4 Mon May 23 11:45:42 2011 1/1 to go >lapw0 ( 11:45:42 ) 2.810u 0.035s 0:02.88 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 11:45:45 ) 279.291u 4.794s 4:47.46 98.8% 0+0k 0+821808io 0pf+0w >dmft1 ( 11:50:33 ) 0.00user 0.02system 0:54.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 09:17:49 ) 0.01user 0.02system 0:57.19elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 09:18:46 ) 0.012u 0.006s 0:00.08 12.5% 0+0k 0+880io 0pf+0w >mixer ( 09:18:46 ) 0.098u 0.034s 0:00.25 48.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.0100970000003 :CHARGE convergence: 0.0009582 :EF convergence: 0 :ITT1 cycle 4 Tue May 24 09:18:47 2011 1/1 to go >lapw0 ( 09:18:47 ) 2.699u 0.032s 0:02.78 97.8% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 09:18:50 ) 280.438u 4.856s 4:48.01 99.0% 0+0k 0+821808io 0pf+0w >dmft2 ( 09:23:38 ) 0.01user 0.02system 1:04.90elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 09:24:43 ) 0.016u 0.003s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 09:24:43 ) 0.070u 0.026s 0:00.16 56.2% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00282500000139 :CHARGE convergence: 0.0006099 :EF convergence: 0 :ITT2 cycle 4 Tue May 24 09:24:44 2011 1/1 to go >lapw0 ( 09:24:44 ) 2.764u 0.035s 0:02.83 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 09:24:46 ) 280.672u 4.948s 4:53.01 97.4% 0+0k 0+821808io 0pf+0w >dmft2 ( 09:29:40 ) 0.01user 0.03system 1:01.77elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 09:30:42 ) 0.018u 0.006s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 09:30:42 ) 0.104u 0.030s 0:00.18 72.2% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000590000001466 :CHARGE convergence: 0.0007119 :EF convergence: 0 :ITT3 cycle 4 Tue May 24 09:30:42 2011 1/1 to go >lapw0 ( 09:30:42 ) 2.661u 0.030s 0:02.73 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 09:30:45 ) 280.333u 4.785s 4:48.72 98.7% 0+0k 0+821808io 0pf+0w >dmft2 ( 09:35:34 ) 0.02user 0.02system 1:01.69elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 09:36:36 ) 0.015u 0.010s 0:00.06 33.3% 0+0k 0+880io 0pf+0w >mixer ( 09:36:36 ) 0.066u 0.013s 0:00.14 50.0% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000405999999202 :CHARGE convergence: 0.0007919 :EF convergence: 0 :ITT1 cycle 5 Tue May 24 09:36:36 2011 0/0 to go >lapw0 ( 09:36:36 ) 2.832u 0.031s 0:02.91 98.2% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 09:36:39 ) 280.828u 4.827s 4:48.95 98.8% 0+0k 0+821808io 0pf+0w >dmft1 ( 09:41:29 ) 0.02user 0.01system 0:54.06elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 08:10:37 ) 0.01user 0.02system 0:57.88elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:11:35 ) 0.017u 0.004s 0:00.09 11.1% 0+0k 0+880io 0pf+0w >mixer ( 08:11:35 ) 0.110u 0.024s 0:00.24 54.1% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00323199999912 :CHARGE convergence: 0.0003798 :EF convergence: 0 :ITT1 cycle 5 Wed May 25 08:11:35 2011 0/0 to go >lapw0 ( 08:11:35 ) 2.681u 0.031s 0:02.75 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 08:11:38 ) 281.068u 4.982s 4:52.32 97.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 08:16:31 ) 0.02user 0.03system 1:01.01elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:17:32 ) 0.020u 0.005s 0:00.05 40.0% 0+0k 0+880io 0pf+0w >mixer ( 08:17:32 ) 0.064u 0.020s 0:00.14 57.1% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.00118799999836 :CHARGE convergence: 0.0005982 :EF convergence: 0 :ITT2 cycle 5 Wed May 25 08:17:32 2011 0/0 to go >lapw0 ( 08:17:32 ) 2.836u 0.032s 0:02.90 98.6% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 08:17:35 ) 280.550u 5.095s 4:48.66 98.9% 0+0k 0+821808io 0pf+0w >dmft2 ( 08:22:25 ) 0.01user 0.02system 1:00.97elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:23:26 ) 0.012u 0.009s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 08:23:26 ) 0.106u 0.026s 0:00.19 63.1% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 2.79999985651e-05 :CHARGE convergence: 0.0005732 :EF convergence: 0 :ITT3 cycle 5 Wed May 25 08:23:26 2011 0/0 to go >lapw0 ( 08:23:26 ) 2.740u 0.031s 0:02.80 98.9% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 08:23:29 ) 280.274u 4.986s 4:48.43 98.8% 0+0k 0+821808io 0pf+0w >dmft2 ( 08:28:18 ) 0.01user 0.02system 1:00.25elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 08:29:18 ) 0.014u 0.005s 0:00.05 20.0% 0+0k 0+880io 0pf+0w >mixer ( 08:29:18 ) 0.105u 0.024s 0:00.18 66.6% 0+0k 0+2216io 0pf+0w :ENERGY convergence: 0.000248000000283 :CHARGE convergence: 0.0005063 :EF convergence: 0 :ITT1 cycle 6 Wed May 25 08:29:19 2011 -1/99 to go >lapw0 ( 08:29:19 ) 2.731u 0.033s 0:02.80 98.5% 0+0k 0+1360io 0pf+0w >lapw1 -c ( 08:29:22 ) 280.336u 4.949s 4:47.99 99.0% 0+0k 0+821808io 0pf+0w