Calculating PuO2 in /tmp/48543quanyin on n155 with PID 5836 start Thu Nov 11 13:09:35 2010 with lapw0 (1/100 to go) cycle 0 Thu Nov 11 13:09:35 2010 30/30 to go >lapw0 ( 13:09:35 ) 2.781u 0.159s 0:02.94 99.6% 0+0k 0+432io 0pf+0w >lapw1 ( 13:09:38 ) 3.992u 0.221s 0:04.22 99.7% 0+0k 0+20104io 0pf+0w >lapwso ( 13:09:43 ) 1.145u 0.081s 0:01.23 99.1% 0+0k 0+77152io 0pf+0w >dmft1 ( 13:09:44 ) 55.12user 0.02system 0:55.17elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:11:04 ) 33.47user 0.04system 0:33.54elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:11:38 ) 0.020u 0.022s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:11:38 ) Note: k-list has changed 0.021u 0.007s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 1.0 :CHARGE convergence: 0.2250111 :EF convergence: 0 :ITT1 cycle 2 Thu Nov 11 13:11:38 2010 28/28 to go >lapw0 ( 13:11:38 ) 2.767u 0.175s 0:02.94 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:11:41 ) 3.981u 0.245s 0:04.24 99.5% 0+0k 0+20160io 0pf+0w >lapwso ( 13:11:45 ) 1.147u 0.085s 0:01.24 98.3% 0+0k 0+77224io 0pf+0w >dmft1 ( 13:11:47 ) 55.81user 0.03system 0:55.87elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:13:19 ) 33.54user 0.06system 0:34.06elapsed 98%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:13:53 ) 0.021u 0.021s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:13:53 ) 0.022u 0.007s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.165625000001 :CHARGE convergence: 0.2272348 :EF convergence: 0 :ITT1 cycle 3 Thu Nov 11 13:13:53 2010 27/27 to go >lapw0 ( 13:13:53 ) 2.786u 0.166s 0:02.95 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:13:56 ) 4.001u 0.228s 0:04.25 99.2% 0+0k 0+20152io 0pf+0w >lapwso ( 13:14:00 ) 1.140u 0.091s 0:01.23 100.0% 0+0k 0+77224io 0pf+0w >dmft1 ( 13:14:01 ) 55.90user 0.02system 0:55.95elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:15:34 ) 32.81user 0.04system 0:32.90elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:16:06 ) 0.020u 0.022s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:16:07 ) 0.015u 0.014s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00512599999638 :CHARGE convergence: 0.2240031 :EF convergence: 0 :ITT1 cycle 4 Thu Nov 11 13:16:07 2010 26/26 to go >lapw0 ( 13:16:07 ) 2.767u 0.187s 0:02.95 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:16:10 ) 3.995u 0.240s 0:04.25 99.5% 0+0k 0+20136io 0pf+0w >lapwso ( 13:16:14 ) 1.138u 0.093s 0:01.24 98.3% 0+0k 0+77160io 0pf+0w >dmft1 ( 13:16:15 ) 56.56user 0.03system 0:56.63elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:17:34 ) 35.17user 0.04system 0:35.25elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:18:10 ) 0.027u 0.016s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:18:10 ) 0.017u 0.013s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0877299999993 :CHARGE convergence: 0.1104915 :EF convergence: 0 :ITT1 cycle 5 Thu Nov 11 13:18:10 2010 25/25 to go >lapw0 ( 13:18:10 ) 2.778u 0.185s 0:02.96 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:18:13 ) 3.997u 0.239s 0:04.26 99.0% 0+0k 0+20128io 0pf+0w >lapwso ( 13:18:17 ) 1.141u 0.080s 0:01.26 96.8% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:18:18 ) 60.22user 0.04system 1:00.44elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:19:39 ) 35.79user 0.05system 0:35.88elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:20:15 ) 0.026u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:20:15 ) 0.021u 0.009s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0845280000067 :CHARGE convergence: 0.0648553 :EF convergence: 0 :ITT1 cycle 6 Thu Nov 11 13:20:15 2010 24/24 to go >lapw0 ( 13:20:15 ) 2.713u 0.166s 0:02.88 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:20:18 ) 4.069u 0.259s 0:04.36 98.8% 0+0k 0+20120io 0pf+0w >lapwso ( 13:20:23 ) 1.190u 0.086s 0:01.29 98.4% 0+0k 0+77216io 0pf+0w >dmft1 ( 13:20:24 ) 60.43user 0.03system 1:00.49elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:21:43 ) 35.74user 0.05system 0:35.81elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:22:18 ) 0.025u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:22:18 ) 0.022u 0.010s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.177060999995 :CHARGE convergence: 0.0271944 :EF convergence: 0 :ITT1 cycle 7 Thu Nov 11 13:22:18 2010 23/23 to go >lapw0 ( 13:22:18 ) 2.821u 0.158s 0:02.98 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:22:21 ) 4.100u 0.238s 0:04.40 98.4% 0+0k 0+20192io 0pf+0w >lapwso ( 13:22:26 ) 1.175u 0.095s 0:01.28 98.4% 0+0k 0+77320io 0pf+0w >dmft1 ( 13:22:27 ) 60.56user 0.03system 1:00.63elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:23:56 ) 35.64user 0.05system 0:35.78elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:24:32 ) 0.026u 0.015s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:24:32 ) 0.018u 0.016s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0887640000001 :CHARGE convergence: 0.0184507 :EF convergence: 0 :ITT1 cycle 8 Thu Nov 11 13:24:32 2010 22/22 to go >lapw0 ( 13:24:32 ) 2.696u 0.157s 0:02.85 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:24:35 ) 4.116u 0.247s 0:04.49 96.8% 0+0k 0+20192io 0pf+0w >lapwso ( 13:24:40 ) 1.189u 0.092s 0:01.29 98.4% 0+0k 0+77368io 0pf+0w >dmft1 ( 13:24:41 ) 59.88user 0.03system 0:59.95elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:26:01 ) 35.74user 0.04system 0:35.81elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:26:36 ) 0.020u 0.022s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:26:37 ) 0.021u 0.010s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0121819999986 :CHARGE convergence: 0.0188361 :EF convergence: 0 :ITT1 cycle 9 Thu Nov 11 13:26:37 2010 21/21 to go >lapw0 ( 13:26:37 ) 2.834u 0.171s 0:03.00 100.0% 0+0k 0+472io 0pf+0w >lapw1 ( 13:26:40 ) 4.071u 0.261s 0:04.37 99.0% 0+0k 0+20128io 0pf+0w >lapwso ( 13:26:44 ) 1.185u 0.083s 0:01.27 99.2% 0+0k 0+77160io 0pf+0w >dmft1 ( 13:26:45 ) 59.82user 0.04system 0:59.89elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:28:12 ) 35.45user 0.04system 0:35.51elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:28:48 ) 0.022u 0.019s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:28:48 ) 0.019u 0.012s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.165398999998 :CHARGE convergence: 0.0206154 :EF convergence: 0 :ITT1 cycle 10 Thu Nov 11 13:28:48 2010 20/20 to go >lapw0 ( 13:28:48 ) 2.657u 0.167s 0:02.82 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:28:51 ) 3.989u 0.209s 0:04.21 99.2% 0+0k 0+20128io 0pf+0w >lapwso ( 13:28:55 ) 1.141u 0.086s 0:01.23 99.1% 0+0k 0+77160io 0pf+0w >dmft1 ( 13:28:57 ) 58.90user 0.03system 0:58.95elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:30:18 ) 35.53user 0.04system 0:35.60elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:30:53 ) 0.022u 0.019s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:30:53 ) 0.022u 0.009s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0368650000019 :CHARGE convergence: 0.0146901 :EF convergence: 0 :ITT1 cycle 11 Thu Nov 11 13:30:54 2010 19/19 to go >lapw0 ( 13:30:54 ) 2.653u 0.188s 0:02.84 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:30:56 ) 3.980u 0.242s 0:04.23 99.7% 0+0k 0+20128io 0pf+0w >lapwso ( 13:31:01 ) 1.154u 0.076s 0:01.23 99.1% 0+0k 0+77160io 0pf+0w >dmft1 ( 13:31:02 ) 59.72user 0.02system 0:59.76elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:32:18 ) 35.47user 0.05system 0:35.53elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:32:54 ) 0.020u 0.021s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:32:54 ) 0.020u 0.010s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0464369999972 :CHARGE convergence: 0.0088505 :EF convergence: 0 :ITT1 cycle 12 Thu Nov 11 13:32:54 2010 18/18 to go >lapw0 ( 13:32:54 ) 2.678u 0.181s 0:02.86 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:32:57 ) 3.981u 0.240s 0:04.23 99.7% 0+0k 0+20176io 0pf+0w >lapwso ( 13:33:01 ) 1.156u 0.078s 0:01.28 95.3% 0+0k 0+77272io 0pf+0w >dmft1 ( 13:33:03 ) 59.92user 0.02system 0:59.98elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:34:24 ) 35.74user 0.04system 0:35.81elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:35:00 ) 0.021u 0.021s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:35:00 ) 0.026u 0.006s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0227220000015 :CHARGE convergence: 0.0100468 :EF convergence: 0 :ITT1 cycle 13 Thu Nov 11 13:35:00 2010 17/17 to go >lapw0 ( 13:35:00 ) 2.804u 0.172s 0:02.97 100.0% 0+0k 0+464io 0pf+0w >lapw1 ( 13:35:03 ) 4.143u 0.245s 0:04.42 99.0% 0+0k 0+20184io 0pf+0w >lapwso ( 13:35:08 ) 1.206u 0.086s 0:01.79 71.5% 0+0k 0+77272io 0pf+0w >dmft1 ( 13:35:09 ) 60.59user 0.04system 1:00.67elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:36:29 ) 35.81user 0.06system 0:35.90elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:37:05 ) 0.019u 0.023s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:37:05 ) 0.021u 0.013s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0111370000013 :CHARGE convergence: 0.0080497 :EF convergence: 0 :ITT1 cycle 14 Thu Nov 11 13:37:05 2010 16/16 to go >lapw0 ( 13:37:05 ) 2.816u 0.167s 0:02.98 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:37:08 ) 4.107u 0.256s 0:04.38 99.3% 0+0k 0+20184io 0pf+0w >lapwso ( 13:37:13 ) 1.199u 0.097s 0:01.30 98.4% 0+0k 0+77224io 0pf+0w >dmft1 ( 13:37:14 ) 60.16user 0.03system 1:00.22elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:38:31 ) 35.77user 0.06system 0:35.86elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:39:07 ) 0.025u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:39:07 ) 0.024u 0.009s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00622799999837 :CHARGE convergence: 0.0073978 :EF convergence: 0 :ITT1 cycle 15 Thu Nov 11 13:39:07 2010 15/15 to go >lapw0 ( 13:39:07 ) 2.797u 0.178s 0:02.97 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:39:10 ) 4.107u 0.260s 0:04.39 99.3% 0+0k 0+20128io 0pf+0w >lapwso ( 13:39:15 ) 1.174u 0.089s 0:01.27 98.4% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:39:16 ) 60.38user 0.03system 1:00.45elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:40:35 ) 35.77user 0.05system 0:35.86elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:41:11 ) 0.027u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:41:11 ) 0.021u 0.011s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0350049999979 :CHARGE convergence: 0.0098303 :EF convergence: 0 :ITT1 cycle 16 Thu Nov 11 13:41:11 2010 14/14 to go >lapw0 ( 13:41:11 ) 2.827u 0.152s 0:02.98 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:41:14 ) 4.090u 0.268s 0:04.39 99.0% 0+0k 0+20128io 0pf+0w >lapwso ( 13:41:19 ) 1.170u 0.097s 0:01.34 94.0% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:41:20 ) 59.84user 0.04system 0:59.91elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:42:35 ) 35.50user 0.04system 0:35.58elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:43:10 ) 0.022u 0.020s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:43:10 ) 0.020u 0.013s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0084779999961 :CHARGE convergence: 0.0083875 :EF convergence: 0 :ITT1 cycle 17 Thu Nov 11 13:43:10 2010 13/13 to go >lapw0 ( 13:43:10 ) 2.780u 0.188s 0:02.97 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:43:13 ) 4.030u 0.223s 0:04.30 98.8% 0+0k 0+20128io 0pf+0w >lapwso ( 13:43:18 ) 1.153u 0.084s 0:01.24 99.1% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:43:19 ) 57.59user 0.03system 0:57.66elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:44:29 ) 34.12user 0.04system 0:34.19elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:45:03 ) 0.022u 0.019s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:45:04 ) 0.021u 0.011s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00125999999727 :CHARGE convergence: 0.0088239 :EF convergence: 0 :ITT1 cycle 18 Thu Nov 11 13:45:04 2010 12/12 to go >lapw0 ( 13:45:04 ) 2.657u 0.181s 0:02.84 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:45:06 ) 3.851u 0.211s 0:04.06 100.0% 0+0k 0+20120io 0pf+0w >lapwso ( 13:45:11 ) 1.110u 0.078s 0:01.19 99.1% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:45:12 ) 57.48user 0.04system 0:57.54elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:46:23 ) 34.14user 0.05system 0:34.20elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:46:57 ) 0.020u 0.021s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:46:57 ) 0.021u 0.011s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00760699999955 :CHARGE convergence: 0.0097322 :EF convergence: 0 :ITT1 cycle 19 Thu Nov 11 13:46:57 2010 11/11 to go >lapw0 ( 13:46:57 ) 2.648u 0.166s 0:02.81 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:47:00 ) 3.840u 0.224s 0:04.07 99.7% 0+0k 0+20128io 0pf+0w >lapwso ( 13:47:04 ) 1.100u 0.084s 0:01.18 100.0% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:47:05 ) 57.12user 0.02system 0:57.17elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:48:15 ) 33.97user 0.04system 0:34.03elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:48:49 ) 0.021u 0.020s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:48:49 ) 0.018u 0.014s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00634400000126 :CHARGE convergence: 0.0090415 :EF convergence: 0 :ITT1 cycle 20 Thu Nov 11 13:48:49 2010 10/10 to go >lapw0 ( 13:48:49 ) 2.657u 0.173s 0:02.83 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:48:52 ) 3.835u 0.230s 0:04.07 99.7% 0+0k 0+20128io 0pf+0w >lapwso ( 13:48:56 ) 1.101u 0.088s 0:01.19 99.1% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:48:57 ) 57.02user 0.02system 0:57.07elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:50:07 ) 34.21user 0.05system 0:34.28elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:50:41 ) 0.022u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:50:41 ) 0.017u 0.015s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.00575799999933 :CHARGE convergence: 0.0079891 :EF convergence: 0 :ITT1 cycle 21 Thu Nov 11 13:50:41 2010 9/9 to go >lapw0 ( 13:50:41 ) 2.687u 0.160s 0:02.85 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:50:44 ) 3.834u 0.206s 0:04.08 98.7% 0+0k 0+20128io 0pf+0w >lapwso ( 13:50:48 ) 1.317u 0.093s 0:01.42 98.5% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:50:50 ) 58.23user 0.03system 0:58.29elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:52:02 ) 34.03user 0.05system 0:34.11elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:52:36 ) 0.024u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:52:36 ) 0.021u 0.011s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0151729999998 :CHARGE convergence: 0.0104144 :EF convergence: 0 :ITT1 cycle 22 Thu Nov 11 13:52:36 2010 8/8 to go >lapw0 ( 13:52:36 ) 2.651u 0.201s 0:02.85 100.0% 0+0k 0+472io 0pf+0w >lapw1 ( 13:52:39 ) 3.849u 0.204s 0:04.06 99.5% 0+0k 0+20176io 0pf+0w >lapwso ( 13:52:43 ) 1.097u 0.081s 0:01.18 99.1% 0+0k 0+77232io 0pf+0w >dmft1 ( 13:52:44 ) 58.50user 0.03system 0:58.58elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:54:05 ) 34.53user 0.04system 0:34.60elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:54:39 ) 0.025u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:54:39 ) 0.020u 0.014s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0377099999969 :CHARGE convergence: 0.0068845 :EF convergence: 0 :ITT1 cycle 23 Thu Nov 11 13:54:39 2010 7/7 to go >lapw0 ( 13:54:39 ) 2.698u 0.180s 0:02.88 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 13:54:42 ) 4.019u 0.232s 0:04.32 98.1% 0+0k 0+20120io 0pf+0w >lapwso ( 13:54:47 ) 1.177u 0.090s 0:01.28 98.4% 0+0k 0+77064io 0pf+0w >dmft1 ( 13:54:48 ) 57.82user 0.03system 0:57.89elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:56:04 ) 34.46user 0.05system 0:34.55elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:56:39 ) 0.019u 0.021s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:56:39 ) 0.025u 0.009s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0351620000001 :CHARGE convergence: 0.010715 :EF convergence: 0 :ITT1 cycle 24 Thu Nov 11 13:56:39 2010 6/6 to go >lapw0 ( 13:56:39 ) 2.716u 0.163s 0:02.88 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 13:56:42 ) 3.896u 0.252s 0:04.17 99.2% 0+0k 0+20144io 0pf+0w >lapwso ( 13:56:46 ) 1.138u 0.081s 0:01.30 93.0% 0+0k 0+77112io 0pf+0w >dmft1 ( 13:56:48 ) 57.78user 0.02system 0:57.84elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 13:58:00 ) 34.43user 0.05system 0:34.50elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 13:58:35 ) 0.017u 0.024s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 13:58:35 ) 0.024u 0.009s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0157200000031 :CHARGE convergence: 0.0074927 :EF convergence: 0 :ITT1 cycle 25 Thu Nov 11 13:58:35 2010 5/5 to go >lapw0 ( 13:58:35 ) 2.713u 0.152s 0:02.86 100.0% 0+0k 0+480io 0pf+0w >lapw1 ( 13:58:38 ) 4.113u 0.260s 0:04.39 99.5% 0+0k 0+20176io 0pf+0w >lapwso ( 13:58:42 ) 1.143u 0.086s 0:01.30 93.8% 0+0k 0+77248io 0pf+0w >dmft1 ( 13:58:44 ) 58.04user 0.04system 0:58.11elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:00:04 ) 34.48user 0.06system 0:34.57elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:00:38 ) 0.022u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:00:38 ) 0.022u 0.011s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0196079999951 :CHARGE convergence: 0.0078973 :EF convergence: 0 :ITT1 cycle 26 Thu Nov 11 14:00:38 2010 4/4 to go >lapw0 ( 14:00:38 ) 2.706u 0.150s 0:02.85 100.0% 0+0k 0+464io 0pf+0w >lapw1 ( 14:00:41 ) 4.043u 0.250s 0:04.33 99.0% 0+0k 0+20128io 0pf+0w >lapwso ( 14:00:46 ) 1.124u 0.090s 0:01.23 98.3% 0+0k 0+77064io 0pf+0w >dmft1 ( 14:00:47 ) 58.13user 0.04system 0:58.21elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:02:04 ) 33.92user 0.04system 0:33.98elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:02:38 ) 0.021u 0.020s 0:00.04 100.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:02:38 ) 0.027u 0.006s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.021719999997 :CHARGE convergence: 0.0069992 :EF convergence: 0 :ITT1 cycle 27 Thu Nov 11 14:02:38 2010 3/3 to go >lapw0 ( 14:02:38 ) 2.661u 0.163s 0:02.82 100.0% 0+0k 0+464io 0pf+0w >lapw1 ( 14:02:41 ) 3.843u 0.220s 0:04.07 99.7% 0+0k 0+20184io 0pf+0w >lapwso ( 14:02:45 ) 1.108u 0.079s 0:01.19 98.3% 0+0k 0+77224io 0pf+0w >dmft1 ( 14:02:46 ) 57.95user 0.03system 0:58.02elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:04:06 ) 34.31user 0.04system 0:34.37elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:04:40 ) 0.022u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:04:40 ) 0.018u 0.015s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0154669999974 :CHARGE convergence: 0.0074646 :EF convergence: 0 :ITT1 cycle 28 Thu Nov 11 14:04:40 2010 2/2 to go >lapw0 ( 14:04:40 ) 2.666u 0.174s 0:02.84 99.6% 0+0k 0+480io 0pf+0w >lapw1 ( 14:04:43 ) 3.805u 0.207s 0:04.02 99.5% 0+0k 0+20128io 0pf+0w >lapwso ( 14:04:47 ) 1.087u 0.083s 0:01.17 99.1% 0+0k 0+77064io 0pf+0w >dmft1 ( 14:04:48 ) 57.67user 0.03system 0:57.74elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:06:05 ) 34.16user 0.05system 0:34.23elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:06:39 ) 0.025u 0.015s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:06:39 ) 0.025u 0.007s 0:00.03 66.6% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0164650000006 :CHARGE convergence: 0.0068865 :EF convergence: 0 :ITT1 cycle 29 Thu Nov 11 14:06:39 2010 1/1 to go >lapw0 ( 14:06:39 ) 2.670u 0.169s 0:02.84 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 14:06:42 ) 3.840u 0.235s 0:04.08 99.7% 0+0k 0+20192io 0pf+0w >lapwso ( 14:06:46 ) 1.099u 0.078s 0:01.18 98.3% 0+0k 0+77224io 0pf+0w >dmft1 ( 14:06:47 ) 57.37user 0.03system 0:57.42elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:08:06 ) 34.97user 0.04system 0:35.04elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:08:41 ) 0.024u 0.017s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:08:41 ) 0.023u 0.010s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.0158630000005 :CHARGE convergence: 0.0076594 :EF convergence: 0 :ITT1 cycle 30 Thu Nov 11 14:08:41 2010 0/0 to go >lapw0 ( 14:08:41 ) 2.726u 0.182s 0:02.91 99.6% 0+0k 0+472io 0pf+0w >lapw1 ( 14:08:44 ) 3.937u 0.252s 0:04.21 99.2% 0+0k 0+20184io 0pf+0w >lapwso ( 14:08:49 ) 1.145u 0.079s 0:01.23 98.3% 0+0k 0+77224io 0pf+0w >dmft1 ( 14:08:50 ) 58.35user 0.02system 0:58.42elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >dmft2 ( 14:10:04 ) 34.55user 0.04system 0:34.63elapsed 99%CPU (0avgtext+0avgdata 0maxresident)k >lcore ( 14:10:39 ) 0.022u 0.018s 0:00.04 75.0% 0+0k 0+1640io 0pf+0w >mixer ( 14:10:39 ) 0.024u 0.010s 0:00.03 100.0% 0+0k 0+696io 0pf+0w :ENERGY convergence: 0.000198000001546 :CHARGE convergence: 0.0077872 :EF convergence: 0 :ITT1 cycle 31 Thu Nov 11 14:10:39 2010 -1/99 to go >lapw0 ( 14:10:39 ) 2.719u 0.171s 0:02.89 99.6% 0+0k 0+464io 0pf+0w >lapw1 ( 14:10:42 ) 3.969u 0.246s 0:04.24 99.0% 0+0k 0+20200io 0pf+0w >lapwso ( 14:10:46 ) 1.148u 0.077s 0:01.23 98.3% 0+0k 0+77224io 0pf+0w