Calculating RuSi in /mnt/wk07/jtomczak/DATA/MATERIALS/RuSi/WIEN/GGA/RuSi on rupc04 with PID 13937 start (Mon Nov 14 10:58:05 EST 2011) with lapw0 (40/99 to go) cycle 1 (Mon Nov 14 10:58:05 EST 2011) (40/99 to go) > lapw0 -f RuSi (10:58:05) 3.924u 0.076s 0:04.22 94.5% 0+0k 4152+1432io 5pf+0w > lapw1 -c -f RuSi (10:58:09) 237.170u 4.172s 1:10.26 343.4% 0+0k 3744+208832io 3pf+0w > lapw2 -c -f RuSi (10:59:20) 66.116u 2.904s 0:22.11 312.1% 0+0k 4016+1728io 5pf+0w > lcore -f RuSi (10:59:42) 0.024u 0.008s 0:00.31 6.4% 0+0k 2160+1136io 2pf+0w > mixer -f RuSi (10:59:43) INFO: K-LIST in CLMSUM changed in MIXER 0.084u 0.020s 0:00.38 26.3% 0+0k 3072+2288io 3pf+0w :ENERGY convergence: 0 0.0001 0 :CHARGE convergence: 0 0.0005 0 ec cc and fc_conv 0 0 1 cycle 2 (Mon Nov 14 10:59:43 EST 2011) (39/98 to go) > lapw0 -f RuSi (10:59:43) 3.932u 0.056s 0:04.08 97.5% 0+0k 0+1408io 0pf+0w > lapw1 -c -f RuSi (10:59:47) 247.987u 10.648s 1:17.70 332.8% 0+0k 0+208840io 0pf+0w > lapw2 -c -f RuSi (11:01:05) 64.664u 4.564s 0:22.39 309.1% 0+0k 0+1752io 0pf+0w > lcore -f RuSi (11:01:28) 0.024u 0.016s 0:00.13 23.0% 0+0k 0+1136io 0pf+0w > mixer -f RuSi (11:01:28) 0.072u 0.024s 0:00.24 37.5% 0+0k 0+2280io 0pf+0w :ENERGY convergence: 0 0.0001 0 :CHARGE convergence: 0 0.0005 0 ec cc and fc_conv 0 0 1 cycle 3 (Mon Nov 14 11:01:29 EST 2011) (38/97 to go) > lapw0 -f RuSi (11:01:29) 3.940u 0.040s 0:04.08 97.5% 0+0k 0+1408io 0pf+0w > lapw1 -c -f RuSi (11:01:33) 240.755u 5.972s 1:11.31 345.9% 0+0k 0+208840io 0pf+0w > lapw2 -c -f RuSi (11:02:44) 66.144u 2.732s 0:21.94 313.9% 0+0k 0+1728io 0pf+0w > lcore -f RuSi (11:03:06) 0.020u 0.020s 0:00.14 28.5% 0+0k 0+1136io 0pf+0w > mixer -f RuSi (11:03:07) 0.080u 0.024s 0:00.24 41.6% 0+0k 0+2280io 0pf+0w :ENERGY convergence: 1 0.0001 .0000005000000000 :CHARGE convergence: 1 0.0005 -.0004963 ec cc and fc_conv 1 1 1 > stop