Calculating FeSb2 in /mnt/sub04n12/225848jtomczak/FeSb2 on sub04n12 with PID 6533 start (Mon Jun 22 11:45:21 EDT 2009) with lapw0 (1/99 to go) cycle 1 (Mon Jun 22 11:45:21 EDT 2009) (1/99 to go) > lapw0 -p (11:45:21) starting parallel lapw0 at Mon Jun 22 11:45:21 EDT 2009 -------- .machine0 : processors running lapw0 in single mode 8.412u 0.076s 0:08.72 97.2% 0+0k 0+0io 10pf+0w > lapw1 -up -p -orb (11:45:30) starting parallel lapw1 at Mon Jun 22 11:45:30 EDT 2009 -> starting parallel LAPW1 jobs at Mon Jun 22 11:45:30 EDT 2009 running LAPW1 in parallel mode (using .machines) 10 number_of_parallel_jobs sub04n12(358) 177.091u 1.172s 2:58.46 99.88% 0+0k 0+0io 0pf+0w sub04n12(358) 177.363u 1.836s 2:59.19 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 182.075u 0.788s 3:02.85 100.01% 0+0k 0+0io 0pf+0w sub04n12(358) 176.015u 0.892s 2:56.9 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 177.111u 0.960s 2:58.08 99.99% 0+0k 0+0io 0pf+0w sub04n12(358) 177.235u 0.912s 2:58.14 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 176.927u 0.852s 2:57.77 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 177.559u 1.168s 2:58.72 100.00% 0+0k 0+0io 0pf+0w sub04n13(358) 155.454u 0.868s 2:41.76 96.64% 0+0k 0+0io 0pf+0w sub04n13(358) 154.926u 0.684s 2:39.71 97.43% 0+0k 0+0io 0pf+0w sub04n13(8) 3.488u 0.076s 3.93 90.57% 0+0k 0+0io 0pf+0w Summary of lapw1para: sub04n12 k=2864 user=1421.38 wallclock=1430.11 sub04n13 k=724 user=313.868 wallclock=647.84 0.456u 0.376s 3:08.59 0.4% 0+0k 0+0io 25pf+0w > lapw1 -dn -p -orb (11:48:39) starting parallel lapw1 at Mon Jun 22 11:48:39 EDT 2009 -> starting parallel LAPW1 jobs at Mon Jun 22 11:48:39 EDT 2009 running LAPW1 in parallel mode (using .machines.help) 10 number_of_parallel_jobs sub04n12(358) 205.445u 1.332s 3:26.76 100.01% 0+0k 0+0io 0pf+0w sub04n12(358) 177.711u 0.980s 2:58.68 100.01% 0+0k 0+0io 0pf+0w sub04n12(358) 207.769u 1.008s 3:28.76 100.01% 0+0k 0+0io 0pf+0w sub04n12(358) 177.543u 0.848s 2:58.39 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 203.377u 1.280s 3:24.64 100.01% 0+0k 0+0io 0pf+0w sub04n12(358) 179.547u 1.088s 3:00.67 99.98% 0+0k 0+0io 0pf+0w sub04n12(358) 176.927u 0.820s 2:57.74 100.00% 0+0k 0+0io 0pf+0w sub04n12(358) 202.469u 1.260s 3:23.73 100.00% 0+0k 0+0io 0pf+0w sub04n13(358) 157.070u 0.932s 2:40.30 98.56% 0+0k 0+0io 0pf+0w sub04n13(358) 154.734u 0.704s 2:38.50 98.07% 0+0k 0+0io 0pf+0w sub04n13(8) 3.404u 0.068s 4.35 79.72% 0+0k 0+0io 0pf+0w Summary of lapw1para: sub04n12 k=2864 user=1530.79 wallclock=1539.37 sub04n13 k=724 user=315.208 wallclock=659.52 0.428u 0.288s 3:33.55 0.3% 0+0k 0+0io 0pf+0w > lapw2 -up -p (11:52:12) running LAPW2 in parallel mode sub04n12 89.678u 1.544s 1:31.30 99.91% 0+0k 0+0io 0pf+0w sub04n12 90.086u 1.496s 1:31.57 100.00% 0+0k 0+0io 0pf+0w sub04n12 88.206u 1.408s 1:29.61 100.00% 0+0k 0+0io 0pf+0w sub04n12 88.366u 1.688s 1:30.05 100.00% 0+0k 0+0io 0pf+0w sub04n12 86.561u 1.536s 1:28.09 100.00% 0+0k 0+0io 0pf+0w sub04n12 82.729u 1.732s 1:24.46 100.00% 0+0k 0+0io 0pf+0w sub04n12 87.329u 1.372s 1:28.69 100.01% 0+0k 0+0io 0pf+0w sub04n12 82.317u 1.600s 1:23.91 100.00% 0+0k 0+0io 0pf+0w sub04n13 78.881u 1.396s 1:20.54 99.67% 0+0k 0+0io 0pf+0w sub04n13 79.945u 1.268s 1:21.53 99.60% 0+0k 0+0io 0pf+0w sub04n13 1.800u 0.048s 2.09 88.21% 0+0k 0+0io 0pf+0w Summary of lapw2para: sub04n12 user=695.272 wallclock=707.68 sub04n13 user=160.626 wallclock=375.68 3.708u 0.536s 1:43.56 4.0% 0+0k 0+0io 11pf+0w > lapw2 -dn -p (11:53:56) running LAPW2 in parallel mode sub04n12 121.120u 1.952s 2:03.06 100.01% 0+0k 0+0io 0pf+0w sub04n12 87.605u 1.440s 1:29.04 100.00% 0+0k 0+0io 0pf+0w sub04n12 117.643u 1.856s 1:59.49 100.00% 0+0k 0+0io 0pf+0w sub04n12 87.685u 1.500s 1:29.18 100.00% 0+0k 0+0io 0pf+0w sub04n12 85.885u 1.436s 1:27.31 100.00% 0+0k 0+0io 0pf+0w sub04n12 105.231u 1.936s 1:47.16 100.00% 0+0k 0+0io 0pf+0w sub04n12 86.149u 1.672s 1:27.82 100.00% 0+0k 0+0io 0pf+0w sub04n12 104.411u 2.160s 1:46.56 100.01% 0+0k 0+0io 0pf+0w sub04n13 79.465u 1.288s 1:20.99 99.70% 0+0k 0+0io 0pf+0w sub04n13 79.453u 1.296s 1:21.04 99.64% 0+0k 0+0io 0pf+0w sub04n13 1.784u 0.068s 2.09 88.57% 0+0k 0+0io 0pf+0w Summary of lapw2para: sub04n12 user=795.729 wallclock=809.62 sub04n13 user=160.702 wallclock=376 5.352u 0.596s 2:13.72 4.4% 0+0k 0+0io 0pf+0w > lcore -up (11:56:10) 0.036u 0.012s 0:00.11 36.3% 0+0k 0+0io 7pf+0w > lcore -dn (11:56:10) 0.044u 0.008s 0:00.06 66.6% 0+0k 0+0io 0pf+0w > lapwdm -up -p (11:56:10) running LAPWDM in parallel mode sub04n12 1.104u 0.064s 1.33 87.69% 0+0k 0+0io 0pf+0w sub04n12 1.100u 0.072s 1.20 97.42% 0+0k 0+0io 0pf+0w sub04n12 1.660u 0.048s 1.72 98.96% 0+0k 0+0io 0pf+0w sub04n12 1.156u 0.044s 1.21 98.77% 0+0k 0+0io 0pf+0w sub04n12 1.168u 0.060s 1.24 98.40% 0+0k 0+0io 0pf+0w sub04n12 1.648u 0.060s 1.72 99.13% 0+0k 0+0io 0pf+0w sub04n12 1.116u 0.064s 1.21 97.52% 0+0k 0+0io 0pf+0w sub04n12 1.120u 0.040s 1.18 97.56% 0+0k 0+0io 0pf+0w sub04n13 1.052u 0.056s 1.45 76.10% 0+0k 0+0io 0pf+0w sub04n13 1.096u 0.036s 1.42 79.27% 0+0k 0+0io 0pf+0w sub04n12 0.028u 0.004s 0.05 61.54% 0+0k 0+0io 0pf+0w Summary of lapwdmpara: sub04n12 user=10.1 wallclock=1488.59 sub04n13 user=2.148 wallclock=327.57 sub04n12 user=10.1 wallclock=1488.59 0.196u 0.136s 0:15.43 2.0% 0+0k 0+0io 0pf+0w > lapwdm -dn -p (11:56:25) running LAPWDM in parallel mode sub04n12 1.652u 0.076s 1.74 99.03% 0+0k 0+0io 0pf+0w sub04n12 1.108u 0.056s 1.18 98.64% 0+0k 0+0io 0pf+0w sub04n12 1.416u 0.064s 1.49 98.93% 0+0k 0+0io 0pf+0w sub04n12 1.124u 0.072s 1.20 99.17% 0+0k 0+0io 0pf+0w sub04n12 1.084u 0.084s 1.17 99.07% 0+0k 0+0io 0pf+0w sub04n12 1.640u 0.084s 1.74 98.97% 0+0k 0+0io 0pf+0w sub04n12 1.124u 0.040s 1.18 98.64% 0+0k 0+0io 0pf+0w sub04n12 1.104u 0.060s 1.2 97.00% 0+0k 0+0io 0pf+0w sub04n13 1.064u 0.044s 1.40 79.09% 0+0k 0+0io 0pf+0w sub04n13 1.064u 0.040s 1.57 70.01% 0+0k 0+0io 0pf+0w sub04n12 0.028u 0.012s 0.04 88.89% 0+0k 0+0io 0pf+0w Summary of lapwdmpara: sub04n12 user=10.28 wallclock=1534.74 sub04n13 user=2.128 wallclock=327.3 sub04n12 user=10.28 wallclock=1534.74 0.228u 0.160s 0:16.19 2.3% 0+0k 0+0io 0pf+0w > lapw2 -up -p -eece (11:56:42) running LAPW2 in parallel mode sub04n12 17.201u 0.232s 17.46 99.83% 0+0k 0+0io 0pf+0w sub04n12 17.317u 0.168s 17.50 99.87% 0+0k 0+0io 0pf+0w sub04n12 13.557u 0.232s 13.82 99.78% 0+0k 0+0io 0pf+0w sub04n12 13.661u 0.172s 13.85 99.85% 0+0k 0+0io 0pf+0w sub04n12 13.561u 0.240s 13.82 99.86% 0+0k 0+0io 0pf+0w sub04n12 17.657u 0.244s 18.57 96.37% 0+0k 0+0io 0pf+0w sub04n12 13.781u 0.144s 13.95 99.79% 0+0k 0+0io 0pf+0w sub04n12 17.289u 0.168s 17.49 99.81% 0+0k 0+0io 0pf+0w sub04n13 12.053u 0.088s 12.37 98.09% 0+0k 0+0io 0pf+0w sub04n13 12.197u 0.084s 12.51 98.14% 0+0k 0+0io 0pf+0w sub04n12 0.336u 0.012s 0.37 93.30% 0+0k 0+0io 0pf+0w Summary of lapw2para: sub04n12 user=124.36 wallclock=8498.26 sub04n13 user=24.25 wallclock=1689.03 5.204u 0.624s 0:35.16 16.5% 0+0k 0+0io 0pf+0w > lapw2 -dn -p -eece (11:57:17) running LAPW2 in parallel mode sub04n12 13.869u 0.168s 14.08 99.69% 0+0k 0+0io 0pf+0w sub04n12 14.089u 0.156s 14.28 99.74% 0+0k 0+0io 0pf+0w sub04n12 13.733u 0.208s 13.96 99.81% 0+0k 0+0io 0pf+0w sub04n12 13.785u 0.148s 13.95 99.87% 0+0k 0+0io 0pf+0w sub04n12 14.473u 0.252s 14.74 99.84% 0+0k 0+0io 0pf+0w sub04n12 14.049u 0.152s 14.21 99.87% 0+0k 0+0io 0pf+0w sub04n12 14.509u 0.104s 14.63 99.83% 0+0k 0+0io 0pf+0w sub04n12 14.125u 0.152s 14.35 99.46% 0+0k 0+0io 0pf+0w sub04n13 12.233u 0.148s 12.69 97.56% 0+0k 0+0io 0pf+0w sub04n13 11.893u 0.096s 12.23 98.01% 0+0k 0+0io 0pf+0w sub04n12 0.312u 0.016s 0.38 86.09% 0+0k 0+0io 0pf+0w Summary of lapw2para: sub04n12 user=112.944 wallclock=7759 sub04n13 user=24.126 wallclock=1690.77 4.664u 0.496s 0:31.45 16.3% 0+0k 0+0io 0pf+0w > lapw0 -p -eece (11:57:48) starting parallel lapw0 at Mon Jun 22 11:57:49 EDT 2009 -------- .machine0 : processors running lapw0 in single mode 0.476u 0.032s 0:00.51 98.0% 0+0k 0+0io 0pf+0w > orb -up -p (11:57:49) 0.004u 0.000s 0:00.19 0.0% 0+0k 0+0io 3pf+0w > orb -dn -p (11:57:49) 0.004u 0.004s 0:00.06 0.0% 0+0k 0+0io 0pf+0w > mixer -eece (11:57:50) 0.212u 0.044s 0:00.41 60.9% 0+0k 0+0io 6pf+0w :ENERGY convergence: 0 0.0001 0 :CHARGE convergence: 0 0.0000 0 > energy in SCF NOT CONVERGED > stop