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ATC version 2.0, date: Aug22

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-23 00:14:37 +00:00
parent dddbef699d
commit 31b31f0a6a
77 changed files with 3976 additions and 3876 deletions
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234
examples/USER/atc/thermal/bar1d_interpolate.screen
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@ -20,17 +20,17 @@ Setting up run ...
Memory usage per processor = 50.9732 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.6428 -2710.8793 412.06718 39.965279 20
100 0.72 -2537.6764 -2606.3542 412.06718 20 20
200 1.4 -2584.8754 -2653.5532 412.06718 20 20
300 2.1 -2575.3126 -2643.9904 412.06718 20 20
400 2.9 -2573.4199 -2642.0977 412.06718 20 20
Loop time of 2.86634 on 4 procs for 400 steps with 1440 atoms
100 0.79 -2537.6764 -2606.3542 412.06718 20 20
200 1.6 -2584.8754 -2653.5532 412.06718 20 20
300 2.4 -2575.3126 -2643.9904 412.06718 20 20
400 3.2 -2573.4199 -2642.0977 412.06718 20 20
Loop time of 3.17319 on 4 procs for 400 steps with 1440 atoms
Pair time (%) = 1.38492 (48.3165)
Neigh time (%) = 0.577389 (20.1438)
Comm time (%) = 0.179717 (6.26989)
Outpt time (%) = 0.00156289 (0.0545257)
Other time (%) = 0.722756 (25.2153)
Pair time (%) = 1.48342 (46.7485)
Neigh time (%) = 0.572685 (18.0476)
Comm time (%) = 0.359244 (11.3212)
Outpt time (%) = 0.00160301 (0.0505172)
Other time (%) = 0.75624 (23.8322)
Nlocal: 360 ave 360 max 360 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -53,14 +53,14 @@ Setting up run ...
Memory usage per processor = 55.72 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
400 0 -2573.4199 -2642.0977 412.06718 20 20
500 0.86 -2573.5342 -2643.6832 433.11971 20.428433 21.712432
Loop time of 0.8603 on 4 procs for 100 steps with 1440 atoms
500 0.87 -2573.5342 -2643.6832 433.11971 20.428433 21.712432
Loop time of 0.874993 on 4 procs for 100 steps with 1440 atoms
Pair time (%) = 0.347589 (40.4033)
Neigh time (%) = 0.145465 (16.9087)
Comm time (%) = 0.0560172 (6.51136)
Outpt time (%) = 0.000413001 (0.0480066)
Other time (%) = 0.310815 (36.1287)
Pair time (%) = 0.352342 (40.268)
Neigh time (%) = 0.143739 (16.4275)
Comm time (%) = 0.0619471 (7.07973)
Outpt time (%) = 0.000395536 (0.0452045)
Other time (%) = 0.316569 (36.1796)
Nlocal: 360 ave 360 max 360 min
Histogram: 4 0 0 0 0 0 0 0 0 0
@ -84,113 +84,113 @@ Setting up run ...
Memory usage per processor = 55.72 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.5342 -2643.6832 433.11971 20.428433 21.712432
100 0.86 -2573.5097 -2644.702 436.57572 20.732249 21.867268
100 0.87 -2573.5097 -2644.702 436.57572 20.732249 21.867268
200 1.7 -2573.5112 -2641.7502 439.66841 19.872211 22.005828
300 2.6 -2573.3491 -2646.3078 442.69161 21.246649 22.141274
400 3.4 -2573.2822 -2641.2514 445.36751 19.793633 22.261161
500 4.3 -2572.8845 -2643.9862 447.90976 20.705853 22.375059
600 5.1 -2572.6755 -2641.3224 450.33699 19.990965 22.483804
700 5.9 -2572.2821 -2642.5297 452.633 20.457107 22.586671
800 6.8 -2571.8547 -2641.9891 454.79418 20.424169 22.683497
900 8.8 -2571.4933 -2642.7882 456.85387 20.762116 22.775775
400 3.5 -2573.2822 -2641.2514 445.36751 19.793633 22.261161
500 4.5 -2572.8845 -2643.9862 447.90976 20.705853 22.375059
600 5.7 -2572.6755 -2641.3224 450.33699 19.990965 22.483804
700 6.7 -2572.2821 -2642.5297 452.633 20.457107 22.586671
800 7.7 -2571.8547 -2641.9891 454.79418 20.424169 22.683497
900 8.9 -2571.4933 -2642.7882 456.85387 20.762116 22.775775
1000 10 -2571.0496 -2643.7527 458.82574 21.172182 22.86412
1100 11 -2570.5809 -2641.69 460.75038 20.708018 22.950348
1200 12 -2570.1887 -2641.7751 462.58586 20.847009 23.032581
1300 13 -2569.6728 -2640.1746 464.33069 20.531153 23.110754
1400 14 -2569.1102 -2641.2988 465.97998 21.022351 23.184646
1500 15 -2568.6933 -2641.6758 467.72853 21.25356 23.262985
1600 16 -2568.3126 -2639.4799 469.33389 20.724972 23.334908
1700 17 -2567.8917 -2641.4173 470.85034 21.411743 23.402849
1800 17 -2567.416 -2642.3747 472.3574 21.829085 23.470369
1900 18 -2567.0152 -2640.9335 473.92673 21.526078 23.540678
2000 19 -2566.5969 -2640.5435 475.40816 21.534312 23.607049
2100 20 -2566.1052 -2638.4679 476.80477 21.073068 23.66962
2200 21 -2565.5495 -2641.5032 478.14213 22.118844 23.729537
2300 22 -2565.1398 -2639.5956 479.53019 21.682594 23.791726
2400 22 -2564.732 -2637.9249 480.87877 21.314827 23.852145
2500 23 -2564.3944 -2638.6441 482.2304 21.622593 23.912701
2600 24 -2563.8222 -2641.7424 483.47432 22.691525 23.968431
2700 25 -2563.3329 -2639.2173 484.77559 22.098628 24.026731
2800 26 -2562.8806 -2636.6059 486.01573 21.469866 24.082292
2900 28 -2562.3465 -2638.8817 487.25366 22.288159 24.137755
3000 29 -2561.8757 -2635.0869 488.43148 21.320176 24.190523
3100 30 -2561.4471 -2635.1227 489.60154 21.455403 24.242945
3200 31 -2561.0263 -2636.215 490.82935 21.896066 24.297953
3300 32 -2560.5777 -2639.0266 491.97068 22.845446 24.349088
3400 33 -2560.0712 -2638.4176 493.06997 22.815602 24.398338
3500 34 -2559.6348 -2634.4135 494.16582 21.776629 24.447435
3600 35 -2559.1842 -2635.4811 495.30605 22.218778 24.49852
3700 35 -2558.7086 -2636.2754 496.34541 22.588602 24.545086
3800 36 -2558.2562 -2636.6903 497.40496 22.841163 24.592556
3900 38 -2557.9356 -2635.0878 498.49911 22.467843 24.641576
4000 39 -2557.6063 -2635.2544 499.51434 22.612267 24.687061
1100 12 -2570.5809 -2641.69 460.75038 20.708018 22.950348
1200 13 -2570.1887 -2641.7751 462.58586 20.847009 23.032581
1300 15 -2569.6728 -2640.1746 464.33069 20.531153 23.110754
1400 16 -2569.1102 -2641.2988 465.97998 21.022351 23.184646
1500 17 -2568.6933 -2641.6758 467.72853 21.25356 23.262985
1600 17 -2568.3126 -2639.4799 469.33389 20.724972 23.334908
1700 18 -2567.8917 -2641.4173 470.85034 21.411743 23.402849
1800 19 -2567.416 -2642.3747 472.3574 21.829085 23.470369
1900 20 -2567.0152 -2640.9335 473.92673 21.526078 23.540678
2000 21 -2566.5969 -2640.5435 475.40816 21.534312 23.607049
2100 22 -2566.1052 -2638.4679 476.80477 21.073068 23.66962
2200 23 -2565.5495 -2641.5032 478.14213 22.118844 23.729537
2300 23 -2565.1398 -2639.5956 479.53019 21.682594 23.791726
2400 24 -2564.732 -2637.9249 480.87877 21.314827 23.852145
2500 25 -2564.3944 -2638.6441 482.2304 21.622593 23.912701
2600 26 -2563.8222 -2641.7424 483.47432 22.691525 23.968431
2700 27 -2563.3329 -2639.2173 484.77559 22.098628 24.026731
2800 28 -2562.8806 -2636.6059 486.01573 21.469866 24.082292
2900 29 -2562.3465 -2638.8817 487.25366 22.288159 24.137755
3000 30 -2561.8757 -2635.0869 488.43148 21.320176 24.190523
3100 31 -2561.4471 -2635.1227 489.60154 21.455403 24.242945
3200 32 -2561.0263 -2636.215 490.82935 21.896066 24.297953
3300 33 -2560.5777 -2639.0266 491.97068 22.845446 24.349088
3400 35 -2560.0712 -2638.4176 493.06997 22.815602 24.398338
3500 35 -2559.6348 -2634.4135 494.16582 21.776629 24.447435
3600 36 -2559.1842 -2635.4811 495.30605 22.218778 24.49852
3700 37 -2558.7086 -2636.2754 496.34541 22.588602 24.545086
3800 38 -2558.2562 -2636.6903 497.40496 22.841163 24.592556
3900 39 -2557.9356 -2635.0878 498.49911 22.467843 24.641576
4000 40 -2557.6063 -2635.2544 499.51434 22.612267 24.687061
4100 41 -2557.2943 -2635.0249 500.49246 22.636293 24.730882
4200 42 -2556.9353 -2635.4961 501.50868 22.878043 24.776412
4300 44 -2556.6277 -2635.8313 502.53051 23.065232 24.822192
4400 45 -2556.3739 -2632.5904 503.57744 22.195375 24.869096
4500 46 -2556.0212 -2633.6191 504.49147 22.59766 24.910047
4300 43 -2556.6277 -2635.8313 502.53051 23.065232 24.822192
4400 44 -2556.3739 -2632.5904 503.57744 22.195375 24.869096
4500 45 -2556.0212 -2633.6191 504.49147 22.59766 24.910047
4600 46 -2555.6736 -2637.0356 505.44829 23.693808 24.952915
4700 47 -2555.3469 -2635.8282 506.40204 23.437311 24.995645
4800 48 -2555.0683 -2637.0806 507.39281 23.883194 25.040034
4900 52 -2554.6933 -2634.0013 508.23979 23.095678 25.07798
5000 53 -2554.4138 -2634.5914 509.20047 23.34888 25.121021
5100 54 -2554.0316 -2631.8029 510.10292 22.648143 25.161453
5200 55 -2553.7548 -2635.4247 511.03731 23.783481 25.203316
5300 56 -2553.3812 -2634.282 511.87478 23.559504 25.240836
5400 57 -2553.0678 -2632.9241 512.77374 23.255322 25.281111
5500 58 -2552.7082 -2634.3549 513.6816 23.776717 25.321786
5600 58 -2552.3171 -2634.1375 514.44071 23.827315 25.355796
5700 59 -2551.9607 -2631.5049 515.35773 23.164428 25.39688
5800 60 -2551.496 -2633.1155 516.19921 23.768789 25.43458
5900 61 -2551.2035 -2632.1116 517.07471 23.561628 25.473805
6000 62 -2550.7722 -2637.2148 517.87274 25.173338 25.509558
6100 64 -2550.3729 -2635.223 518.677 24.709601 25.545591
6200 65 -2550.0239 -2633.7077 519.50465 24.369948 25.582672
6300 65 -2549.7022 -2634.9153 520.32051 24.815296 25.619224
6400 66 -2549.2302 -2630.2767 521.18099 23.601923 25.657775
6500 67 -2548.7701 -2632.1853 521.991 24.291732 25.694065
6600 68 -2548.3382 -2629.8213 522.69988 23.729068 25.725825
6700 69 -2547.9544 -2634.3457 523.47285 25.158407 25.760456
6800 71 -2547.6099 -2632.3242 524.24129 24.670057 25.794884
6900 72 -2547.3857 -2630.1042 524.9806 24.088828 25.828006
7000 74 -2547.1211 -2631.9693 525.7776 24.70903 25.863714
7100 74 -2546.7539 -2631.6181 526.45984 24.713697 25.89428
7200 75 -2546.4777 -2629.7492 527.21059 24.249884 25.927915
7300 76 -2546.2406 -2629.7818 528.01912 24.32843 25.964139
7400 77 -2545.9694 -2632.4927 528.64586 25.196846 25.992218
7500 78 -2545.8619 -2630.0613 529.38653 24.520088 26.025402
7600 79 -2545.7138 -2632.8388 530.16874 25.372085 26.060447
7700 80 -2545.4529 -2628.921 530.86231 24.307131 26.09152
7800 82 -2545.166 -2629.3814 531.58154 24.524736 26.123743
7900 83 -2544.8001 -2625.4882 532.26268 23.497557 26.15426
8000 84 -2544.4118 -2628.3746 532.9236 24.451192 26.183871
8100 86 -2544.1166 -2629.2914 533.60356 24.804137 26.214334
8200 87 -2543.7942 -2627.1091 534.28788 24.262513 26.244994
8300 88 -2543.4804 -2630.0029 534.94382 25.196642 26.274381
8400 91 -2543.104 -2632.0263 535.55146 25.895456 26.301605
8500 92 -2542.7117 -2627.3589 536.21003 24.650511 26.33111
8600 93 -2542.3628 -2627.7464 536.92095 24.86496 26.362961
8700 94 -2542.0845 -2628.3592 537.58922 25.124445 26.392901
8800 95 -2541.7327 -2628.2907 538.11331 25.206956 26.416381
8900 96 -2541.5205 -2628.8127 538.78583 25.420763 26.446512
9000 97 -2541.4308 -2628.532 539.48656 25.36513 26.477906
9100 99 -2541.3427 -2624.8856 540.08761 24.328917 26.504834
9200 99 -2541.2405 -2626.8739 540.65481 24.937701 26.530246
9300 1e+02 -2541.1638 -2628.2134 541.35281 25.350118 26.561518
9400 1e+02 -2541.0394 -2629.2501 541.97029 25.688239 26.589183
9500 1e+02 -2540.8064 -2629.0064 542.46763 25.685128 26.611465
9600 1e+02 -2540.6384 -2628.7742 543.13578 25.666436 26.641399
9700 1e+02 -2540.3957 -2628.1981 543.7668 25.56933 26.669671
9800 1e+02 -2540.1324 -2627.8582 544.32985 25.547048 26.694896
9900 1.1e+02 -2539.8497 -2629.5669 544.90695 26.12696 26.720752
10000 1.1e+02 -2539.5955 -2628.0303 545.50615 25.753491 26.747597
Loop time of 106.688 on 4 procs for 10000 steps with 1440 atoms
4700 46 -2555.3469 -2635.8282 506.40204 23.437311 24.995645
4800 47 -2555.0683 -2637.0806 507.39281 23.883194 25.040034
4900 48 -2554.6933 -2634.0013 508.23979 23.095678 25.07798
5000 49 -2554.4138 -2634.5914 509.20047 23.34888 25.121021
5100 51 -2554.0316 -2631.8029 510.10292 22.648143 25.161453
5200 52 -2553.7548 -2635.4247 511.03731 23.783481 25.203316
5300 54 -2553.3812 -2634.282 511.87478 23.559504 25.240836
5400 54 -2553.0678 -2632.9241 512.77374 23.255322 25.281111
5500 55 -2552.7082 -2634.3549 513.6816 23.776717 25.321786
5600 56 -2552.3171 -2634.1375 514.44071 23.827315 25.355796
5700 57 -2551.9607 -2631.5049 515.35773 23.164428 25.39688
5800 58 -2551.496 -2633.1155 516.19921 23.768789 25.43458
5900 59 -2551.2035 -2632.1116 517.07471 23.561628 25.473805
6000 60 -2550.7722 -2637.2148 517.87274 25.173338 25.509558
6100 60 -2550.3729 -2635.223 518.677 24.709601 25.545591
6200 61 -2550.0239 -2633.7077 519.50465 24.369948 25.582672
6300 62 -2549.7022 -2634.9153 520.32051 24.815296 25.619224
6400 63 -2549.2302 -2630.2767 521.18099 23.601923 25.657775
6500 64 -2548.7701 -2632.1853 521.991 24.291732 25.694065
6600 65 -2548.3382 -2629.8213 522.69988 23.729068 25.725825
6700 66 -2547.9544 -2634.3457 523.47285 25.158407 25.760456
6800 66 -2547.6099 -2632.3242 524.24129 24.670057 25.794884
6900 67 -2547.3857 -2630.1042 524.9806 24.088828 25.828006
7000 68 -2547.1211 -2631.9693 525.7776 24.70903 25.863714
7100 70 -2546.7539 -2631.6181 526.45984 24.713697 25.89428
7200 71 -2546.4777 -2629.7492 527.21059 24.249884 25.927915
7300 72 -2546.2406 -2629.7818 528.01912 24.32843 25.964139
7400 73 -2545.9694 -2632.4927 528.64586 25.196846 25.992218
7500 74 -2545.8619 -2630.0613 529.38653 24.520088 26.025402
7600 75 -2545.7138 -2632.8388 530.16874 25.372085 26.060447
7700 76 -2545.4529 -2628.921 530.86231 24.307131 26.09152
7800 77 -2545.166 -2629.3814 531.58154 24.524736 26.123743
7900 78 -2544.8001 -2625.4882 532.26268 23.497557 26.15426
8000 79 -2544.4118 -2628.3746 532.9236 24.451192 26.183871
8100 80 -2544.1166 -2629.2914 533.60356 24.804137 26.214334
8200 81 -2543.7942 -2627.1091 534.28788 24.262513 26.244994
8300 82 -2543.4804 -2630.0029 534.94382 25.196642 26.274381
8400 83 -2543.104 -2632.0263 535.55146 25.895456 26.301605
8500 84 -2542.7117 -2627.3589 536.21003 24.650511 26.33111
8600 84 -2542.3628 -2627.7464 536.92095 24.86496 26.362961
8700 85 -2542.0845 -2628.3592 537.58922 25.124445 26.392901
8800 86 -2541.7327 -2628.2907 538.11331 25.206956 26.416381
8900 87 -2541.5205 -2628.8127 538.78583 25.420763 26.446512
9000 88 -2541.4308 -2628.532 539.48656 25.36513 26.477906
9100 91 -2541.3427 -2624.8856 540.08761 24.328917 26.504834
9200 91 -2541.2405 -2626.8739 540.65481 24.937701 26.530246
9300 93 -2541.1638 -2628.2134 541.35281 25.350118 26.561518
9400 94 -2541.0394 -2629.2501 541.97029 25.688239 26.589183
9500 95 -2540.8064 -2629.0064 542.46763 25.685128 26.611465
9600 96 -2540.6384 -2628.7742 543.13578 25.666436 26.641399
9700 97 -2540.3957 -2628.1981 543.7668 25.56933 26.669671
9800 98 -2540.1324 -2627.8582 544.32985 25.547048 26.694896
9900 99 -2539.8497 -2629.5669 544.90695 26.12696 26.720752
10000 1e+02 -2539.5955 -2628.0303 545.50615 25.753491 26.747597
Loop time of 99.7899 on 4 procs for 10000 steps with 1440 atoms
Pair time (%) = 36.7562 (34.4519)
Neigh time (%) = 15.6305 (14.6506)
Comm time (%) = 14.5129 (13.6031)
Outpt time (%) = 0.0941951 (0.08829)
Other time (%) = 39.6945 (37.2061)
Pair time (%) = 36.3001 (36.3765)
Neigh time (%) = 15.2101 (15.2421)
Comm time (%) = 11.1181 (11.1415)
Outpt time (%) = 0.0967416 (0.0969452)
Other time (%) = 37.065 (37.143)
Nlocal: 360 ave 360 max 360 min
Histogram: 4 0 0 0 0 0 0 0 0 0