|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 859.39 (56.35% of List ) | Other 665.80 (43.65% of List ) | List time 1525.20 (22.72% of Nonbo) | Short_ene time 1519.25 (62.61% of Direc) | Other 907.17 (37.39% of Direc) | Direct Ewald time 2426.41 (46.79% of Ewald) | Adjust Ewald time 20.07 ( 0.39% of Ewald) | Self Ewald time 1.30 ( 0.03% of Ewald) | Fill Bspline coeffs 365.47 (17.88% of Recip) | Fill charge grid 103.88 ( 5.08% of Recip) | Scalar sum 146.58 ( 7.17% of Recip) | Grad sum 148.69 ( 7.28% of Recip) | FFT back comm time 1049.24 (84.02% of FFT t) | Other 199.56 (15.98% of FFT t) | FFT time 1248.79 (61.11% of Recip) | Other 30.16 ( 1.48% of Recip) | Recip Ewald time 2043.59 (39.40% of Ewald) | Force Adjust 229.96 ( 4.43% of Ewald) | Virial junk 463.78 ( 8.94% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5186.26 (77.27% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6712.23 (72.50% of Force) | Bond/Angle/Dihedral 30.30 ( 0.33% of Force) | FRC Collect time 2204.83 (23.81% of Force) | Other 311.45 ( 3.36% of Force) | Force time 9258.82 (67.84% of Runmd) | Shake time 133.58 ( 0.98% of Runmd) | Verlet update time 1324.46 ( 9.70% of Runmd) | Ekcmr time 1342.30 ( 9.84% of Runmd) | CRD distribute time 1321.46 ( 9.68% of Runmd) | Other 267.39 ( 1.96% of Runmd) | Runmd Time 13648.00 (100.0% of Total) | Other 1.42 ( 0.01% of Total) | Total time 13649.52 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 854.92 (56.66% of List ) | Other 653.96 (43.34% of List ) | List time 1508.88 (22.53% of Nonbo) | Short_ene time 1532.61 (62.96% of Direc) | Other 901.48 (37.04% of Direc) | Direct Ewald time 2434.09 (46.92% of Ewald) | Adjust Ewald time 20.19 ( 0.39% of Ewald) | Fill Bspline coeffs 363.83 (17.77% of Recip) | Fill charge grid 96.28 ( 4.70% of Recip) | Scalar sum 146.84 ( 7.17% of Recip) | Grad sum 147.81 ( 7.22% of Recip) | FFT back comm time 1049.60 (83.14% of FFT t) | Other 212.87 (16.86% of FFT t) | FFT time 1262.47 (61.66% of Recip) | Other 30.31 ( 1.48% of Recip) | Recip Ewald time 2047.54 (39.47% of Ewald) | Force Adjust 216.74 ( 4.18% of Ewald) | Virial junk 467.46 ( 9.01% of Ewald) | Start sycnronization 0.36 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 5187.27 (77.46% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6696.94 (72.64% of Force) | Bond/Angle/Dihedral 31.45 ( 0.34% of Force) | FRC Collect time 2168.36 (23.52% of Force) | Other 322.51 ( 3.50% of Force) | Force time 9219.25 (67.56% of Runmd) | Shake time 87.36 ( 0.64% of Runmd) | Verlet update time 790.09 ( 5.79% of Runmd) | Ekcmr time 1469.48 (10.77% of Runmd) | CRD distribute time 1712.86 (12.55% of Runmd) | Other 366.05 ( 2.68% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.52 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 861.09 (56.39% of List ) | Other 665.90 (43.61% of List ) | List time 1526.99 (22.72% of Nonbo) | Short_ene time 1419.25 (60.22% of Direc) | Other 937.47 (39.78% of Direc) | Direct Ewald time 2356.72 (45.38% of Ewald) | Adjust Ewald time 20.55 ( 0.40% of Ewald) | Fill Bspline coeffs 371.31 (18.10% of Recip) | Fill charge grid 105.85 ( 5.16% of Recip) | Scalar sum 146.41 ( 7.14% of Recip) | Grad sum 150.35 ( 7.33% of Recip) | FFT back comm time 1050.52 (84.06% of FFT t) | Other 199.15 (15.94% of FFT t) | FFT time 1249.68 (60.93% of Recip) | Other 27.46 ( 1.34% of Recip) | Recip Ewald time 2051.06 (39.50% of Ewald) | Force Adjust 306.38 ( 5.90% of Ewald) | Virial junk 457.01 ( 8.80% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5193.12 (77.27% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6720.97 (73.32% of Force) | Bond/Angle/Dihedral 30.74 ( 0.34% of Force) | FRC Collect time 2109.90 (23.02% of Force) | Other 304.96 ( 3.33% of Force) | Force time 9166.57 (67.18% of Runmd) | Shake time 78.46 ( 0.58% of Runmd) | Verlet update time 858.67 ( 6.29% of Runmd) | Ekcmr time 1474.56 (10.81% of Runmd) | CRD distribute time 1720.75 (12.61% of Runmd) | Other 346.07 ( 2.54% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 865.57 (56.95% of List ) | Other 654.26 (43.05% of List ) | List time 1519.84 (22.65% of Nonbo) | Short_ene time 1517.14 (62.52% of Direc) | Other 909.55 (37.48% of Direc) | Direct Ewald time 2426.70 (46.75% of Ewald) | Adjust Ewald time 19.85 ( 0.38% of Ewald) | Fill Bspline coeffs 377.46 (18.39% of Recip) | Fill charge grid 97.88 ( 4.77% of Recip) | Scalar sum 146.48 ( 7.14% of Recip) | Grad sum 149.37 ( 7.28% of Recip) | FFT back comm time 1052.28 (83.99% of FFT t) | Other 200.59 (16.01% of FFT t) | FFT time 1252.87 (61.05% of Recip) | Other 28.08 ( 1.37% of Recip) | Recip Ewald time 2052.14 (39.54% of Ewald) | Force Adjust 226.77 ( 4.37% of Ewald) | Virial junk 463.76 ( 8.93% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5190.57 (77.34% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6711.25 (73.24% of Force) | Bond/Angle/Dihedral 31.60 ( 0.34% of Force) | FRC Collect time 2109.61 (23.02% of Force) | Other 310.42 ( 3.39% of Force) | Force time 9162.87 (67.15% of Runmd) | Shake time 80.56 ( 0.59% of Runmd) | Verlet update time 979.60 ( 7.18% of Runmd) | Ekcmr time 1196.66 ( 8.77% of Runmd) | CRD distribute time 1938.15 (14.20% of Runmd) | Other 287.25 ( 2.11% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 860.58 (56.42% of List ) | Other 664.63 (43.58% of List ) | List time 1525.21 (22.72% of Nonbo) | Short_ene time 1622.47 (63.68% of Direc) | Other 925.45 (36.32% of Direc) | Direct Ewald time 2547.92 (49.11% of Ewald) | Adjust Ewald time 19.44 ( 0.37% of Ewald) | Fill Bspline coeffs 377.13 (18.44% of Recip) | Fill charge grid 98.28 ( 4.81% of Recip) | Scalar sum 146.15 ( 7.15% of Recip) | Grad sum 150.33 ( 7.35% of Recip) | FFT back comm time 1055.93 (84.65% of FFT t) | Other 191.41 (15.35% of FFT t) | FFT time 1247.34 (61.00% of Recip) | Other 25.61 ( 1.25% of Recip) | Recip Ewald time 2044.84 (39.42% of Ewald) | Force Adjust 115.54 ( 2.23% of Ewald) | Virial junk 458.66 ( 8.84% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5187.75 (77.27% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6713.83 (73.80% of Force) | Bond/Angle/Dihedral 30.90 ( 0.34% of Force) | FRC Collect time 2041.36 (22.44% of Force) | Other 310.71 ( 3.42% of Force) | Force time 9096.79 (66.67% of Runmd) | Shake time 92.73 ( 0.68% of Runmd) | Verlet update time 887.11 ( 6.50% of Runmd) | Ekcmr time 1559.03 (11.43% of Runmd) | CRD distribute time 1641.82 (12.03% of Runmd) | Other 367.60 ( 2.69% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 865.08 (57.04% of List ) | Other 651.66 (42.96% of List ) | List time 1516.74 (22.60% of Nonbo) | Short_ene time 1399.28 (59.83% of Direc) | Other 939.45 (40.17% of Direc) | Direct Ewald time 2338.73 (45.04% of Ewald) | Adjust Ewald time 20.30 ( 0.39% of Ewald) | Fill Bspline coeffs 378.39 (18.43% of Recip) | Fill charge grid 99.86 ( 4.86% of Recip) | Scalar sum 146.32 ( 7.13% of Recip) | Grad sum 148.71 ( 7.24% of Recip) | FFT back comm time 1058.55 (84.40% of FFT t) | Other 195.69 (15.60% of FFT t) | FFT time 1254.24 (61.10% of Recip) | Other 25.35 ( 1.23% of Recip) | Recip Ewald time 2052.87 (39.53% of Ewald) | Force Adjust 314.74 ( 6.06% of Ewald) | Virial junk 464.62 ( 8.95% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5192.64 (77.38% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6710.17 (73.80% of Force) | Bond/Angle/Dihedral 31.13 ( 0.34% of Force) | FRC Collect time 2040.97 (22.45% of Force) | Other 310.60 ( 3.42% of Force) | Force time 9092.87 (66.64% of Runmd) | Shake time 98.67 ( 0.72% of Runmd) | Verlet update time 892.10 ( 6.54% of Runmd) | Ekcmr time 1435.95 (10.52% of Runmd) | CRD distribute time 1761.08 (12.91% of Runmd) | Other 364.42 ( 2.67% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 876.21 (58.37% of List ) | Other 624.91 (41.63% of List ) | List time 1501.11 (22.31% of Nonbo) | Short_ene time 1518.41 (62.03% of Direc) | Other 929.55 (37.97% of Direc) | Direct Ewald time 2447.96 (46.83% of Ewald) | Adjust Ewald time 20.15 ( 0.39% of Ewald) | Fill Bspline coeffs 363.93 (17.45% of Recip) | Fill charge grid 111.20 ( 5.33% of Recip) | Scalar sum 146.21 ( 7.01% of Recip) | Grad sum 147.82 ( 7.09% of Recip) | FFT back comm time 1059.06 (82.15% of FFT t) | Other 230.19 (17.85% of FFT t) | FFT time 1289.25 (61.84% of Recip) | Other 26.53 ( 1.27% of Recip) | Recip Ewald time 2084.94 (39.89% of Ewald) | Force Adjust 212.94 ( 4.07% of Ewald) | Virial junk 459.43 ( 8.79% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.81 ( 0.02% of Ewald) | Ewald time 5226.97 (77.68% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6728.96 (73.96% of Force) | Bond/Angle/Dihedral 30.46 ( 0.33% of Force) | FRC Collect time 2039.66 (22.42% of Force) | Other 299.21 ( 3.29% of Force) | Force time 9098.28 (66.68% of Runmd) | Shake time 98.74 ( 0.72% of Runmd) | Verlet update time 1014.83 ( 7.44% of Runmd) | Ekcmr time 1229.31 ( 9.01% of Runmd) | CRD distribute time 1878.86 (13.77% of Runmd) | Other 325.06 ( 2.38% of Runmd) | Runmd Time 13645.09 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 863.78 (57.20% of List ) | Other 646.21 (42.80% of List ) | List time 1509.99 (22.52% of Nonbo) | Short_ene time 1637.85 (64.85% of Direc) | Other 887.63 (35.15% of Direc) | Direct Ewald time 2525.48 (48.62% of Ewald) | Adjust Ewald time 19.64 ( 0.38% of Ewald) | Fill Bspline coeffs 370.50 (18.03% of Recip) | Fill charge grid 102.31 ( 4.98% of Recip) | Scalar sum 146.16 ( 7.11% of Recip) | Grad sum 148.11 ( 7.21% of Recip) | FFT back comm time 1061.70 (83.97% of FFT t) | Other 202.68 (16.03% of FFT t) | FFT time 1264.38 (61.51% of Recip) | Other 23.98 ( 1.17% of Recip) | Recip Ewald time 2055.43 (39.57% of Ewald) | Force Adjust 126.62 ( 2.44% of Ewald) | Virial junk 465.41 ( 8.96% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.79 ( 0.02% of Ewald) | Ewald time 5194.03 (77.47% of Nonbo) | Other 0.76 ( 0.01% of Nonbo) | Nonbond force 6704.90 (73.73% of Force) | Bond/Angle/Dihedral 31.72 ( 0.35% of Force) | FRC Collect time 2039.26 (22.42% of Force) | Other 317.84 ( 3.50% of Force) | Force time 9093.72 (66.64% of Runmd) | Shake time 100.41 ( 0.74% of Runmd) | Verlet update time 999.45 ( 7.32% of Runmd) | Ekcmr time 1221.65 ( 8.95% of Runmd) | CRD distribute time 1882.32 (13.79% of Runmd) | Other 347.54 ( 2.55% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 860.53 (56.98% of List ) | Other 649.77 (43.02% of List ) | List time 1510.30 (22.51% of Nonbo) | Short_ene time 1403.26 (60.16% of Direc) | Other 929.33 (39.84% of Direc) | Direct Ewald time 2332.59 (44.87% of Ewald) | Adjust Ewald time 20.24 ( 0.39% of Ewald) | Fill Bspline coeffs 356.60 (17.33% of Recip) | Fill charge grid 108.11 ( 5.25% of Recip) | Scalar sum 146.68 ( 7.13% of Recip) | Grad sum 149.70 ( 7.27% of Recip) | FFT back comm time 1053.04 (82.83% of FFT t) | Other 218.34 (17.17% of FFT t) | FFT time 1271.38 (61.78% of Recip) | Other 25.60 ( 1.24% of Recip) | Recip Ewald time 2058.08 (39.59% of Ewald) | Force Adjust 330.51 ( 6.36% of Ewald) | Virial junk 455.97 ( 8.77% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.78 ( 0.01% of Ewald) | Ewald time 5198.83 (77.48% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6710.00 (74.17% of Force) | Bond/Angle/Dihedral 30.22 ( 0.33% of Force) | FRC Collect time 1992.79 (22.03% of Force) | Other 313.55 ( 3.47% of Force) | Force time 9046.57 (66.30% of Runmd) | Shake time 107.10 ( 0.78% of Runmd) | Verlet update time 735.11 ( 5.39% of Runmd) | Ekcmr time 2433.86 (17.84% of Runmd) | CRD distribute time 1132.18 ( 8.30% of Runmd) | Other 190.26 ( 1.39% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 858.26 (56.74% of List ) | Other 654.32 (43.26% of List ) | List time 1512.58 (22.59% of Nonbo) | Short_ene time 1552.68 (62.34% of Direc) | Other 938.06 (37.66% of Direc) | Direct Ewald time 2490.75 (48.07% of Ewald) | Adjust Ewald time 20.23 ( 0.39% of Ewald) | Fill Bspline coeffs 368.83 (18.04% of Recip) | Fill charge grid 98.29 ( 4.81% of Recip) | Scalar sum 146.64 ( 7.17% of Recip) | Grad sum 149.71 ( 7.32% of Recip) | FFT back comm time 1053.10 (83.88% of FFT t) | Other 202.40 (16.12% of FFT t) | FFT time 1255.51 (61.41% of Recip) | Other 25.55 ( 1.25% of Recip) | Recip Ewald time 2044.52 (39.46% of Ewald) | Force Adjust 161.58 ( 3.12% of Ewald) | Virial junk 463.04 ( 8.94% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5181.45 (77.39% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6694.85 (74.03% of Force) | Bond/Angle/Dihedral 32.14 ( 0.36% of Force) | FRC Collect time 1993.00 (22.04% of Force) | Other 323.09 ( 3.57% of Force) | Force time 9043.08 (66.27% of Runmd) | Shake time 106.84 ( 0.78% of Runmd) | Verlet update time 799.57 ( 5.86% of Runmd) | Ekcmr time 2101.89 (15.40% of Runmd) | CRD distribute time 1348.46 ( 9.88% of Runmd) | Other 245.24 ( 1.80% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 866.94 (56.87% of List ) | Other 657.36 (43.13% of List ) | List time 1524.30 (22.66% of Nonbo) | Short_ene time 1592.19 (63.71% of Direc) | Other 907.04 (36.29% of Direc) | Direct Ewald time 2499.23 (48.05% of Ewald) | Adjust Ewald time 19.88 ( 0.38% of Ewald) | Fill Bspline coeffs 368.17 (17.87% of Recip) | Fill charge grid 110.75 ( 5.38% of Recip) | Scalar sum 146.66 ( 7.12% of Recip) | Grad sum 153.30 ( 7.44% of Recip) | FFT back comm time 1054.04 (83.68% of FFT t) | Other 205.59 (16.32% of FFT t) | FFT time 1259.63 (61.14% of Recip) | Other 21.71 ( 1.05% of Recip) | Recip Ewald time 2060.21 (39.61% of Ewald) | Force Adjust 166.72 ( 3.21% of Ewald) | Virial junk 453.42 ( 8.72% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.80 ( 0.02% of Ewald) | Ewald time 5200.97 (77.32% of Nonbo) | Other 0.76 ( 0.01% of Nonbo) | Nonbond force 6726.17 (74.34% of Force) | Bond/Angle/Dihedral 30.70 ( 0.34% of Force) | FRC Collect time 1992.05 (22.02% of Force) | Other 299.16 ( 3.31% of Force) | Force time 9048.08 (66.31% of Runmd) | Shake time 108.23 ( 0.79% of Runmd) | Verlet update time 932.48 ( 6.83% of Runmd) | Ekcmr time 1535.72 (11.25% of Runmd) | CRD distribute time 1713.30 (12.56% of Runmd) | Other 307.26 ( 2.25% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 861.27 (56.80% of List ) | Other 655.05 (43.20% of List ) | List time 1516.32 (22.62% of Nonbo) | Short_ene time 1416.68 (60.30% of Direc) | Other 932.87 (39.70% of Direc) | Direct Ewald time 2349.54 (45.31% of Ewald) | Adjust Ewald time 20.43 ( 0.39% of Ewald) | Fill Bspline coeffs 367.56 (17.93% of Recip) | Fill charge grid 104.71 ( 5.11% of Recip) | Scalar sum 146.60 ( 7.15% of Recip) | Grad sum 152.20 ( 7.42% of Recip) | FFT back comm time 1055.21 (83.96% of FFT t) | Other 201.66 (16.04% of FFT t) | FFT time 1256.86 (61.30% of Recip) | Other 22.44 ( 1.09% of Recip) | Recip Ewald time 2050.38 (39.54% of Ewald) | Force Adjust 306.79 ( 5.92% of Ewald) | Virial junk 457.47 ( 8.82% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5186.00 (77.37% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6703.12 (74.11% of Force) | Bond/Angle/Dihedral 32.25 ( 0.36% of Force) | FRC Collect time 1991.82 (22.02% of Force) | Other 317.66 ( 3.51% of Force) | Force time 9044.85 (66.29% of Runmd) | Shake time 108.05 ( 0.79% of Runmd) | Verlet update time 985.45 ( 7.22% of Runmd) | Ekcmr time 1351.05 ( 9.90% of Runmd) | CRD distribute time 1888.14 (13.84% of Runmd) | Other 267.55 ( 1.96% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 863.40 (56.75% of List ) | Other 658.00 (43.25% of List ) | List time 1521.40 (22.63% of Nonbo) | Short_ene time 1538.44 (62.03% of Direc) | Other 941.82 (37.97% of Direc) | Direct Ewald time 2480.26 (47.69% of Ewald) | Adjust Ewald time 20.18 ( 0.39% of Ewald) | Fill Bspline coeffs 373.09 (18.11% of Recip) | Fill charge grid 105.41 ( 5.12% of Recip) | Scalar sum 146.25 ( 7.10% of Recip) | Grad sum 152.58 ( 7.41% of Recip) | FFT back comm time 1058.34 (83.86% of FFT t) | Other 203.71 (16.14% of FFT t) | FFT time 1262.05 (61.25% of Recip) | Other 20.98 ( 1.02% of Recip) | Recip Ewald time 2060.36 (39.62% of Ewald) | Force Adjust 185.41 ( 3.57% of Ewald) | Virial junk 452.63 ( 8.70% of Ewald) | Start sycnronization 0.50 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5200.28 (77.36% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6722.54 (74.31% of Force) | Bond/Angle/Dihedral 30.85 ( 0.34% of Force) | FRC Collect time 1991.56 (22.02% of Force) | Other 301.22 ( 3.33% of Force) | Force time 9046.17 (66.30% of Runmd) | Shake time 107.96 ( 0.79% of Runmd) | Verlet update time 859.56 ( 6.30% of Runmd) | Ekcmr time 1729.12 (12.67% of Runmd) | CRD distribute time 1575.90 (11.55% of Runmd) | Other 326.36 ( 2.39% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 856.32 (57.00% of List ) | Other 646.08 (43.00% of List ) | List time 1502.40 (22.49% of Nonbo) | Short_ene time 1567.04 (63.15% of Direc) | Other 914.37 (36.85% of Direc) | Direct Ewald time 2481.41 (47.94% of Ewald) | Adjust Ewald time 19.95 ( 0.39% of Ewald) | Fill Bspline coeffs 372.79 (18.27% of Recip) | Fill charge grid 94.62 ( 4.64% of Recip) | Scalar sum 146.38 ( 7.18% of Recip) | Grad sum 153.67 ( 7.53% of Recip) | FFT back comm time 1058.98 (84.50% of FFT t) | Other 194.19 (15.50% of FFT t) | FFT time 1253.17 (61.43% of Recip) | Other 19.27 ( 0.94% of Recip) | Recip Ewald time 2039.90 (39.41% of Ewald) | Force Adjust 172.00 ( 3.32% of Ewald) | Virial junk 461.34 ( 8.91% of Ewald) | Start sycnronization 0.37 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 5175.81 (77.49% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6679.03 (73.86% of Force) | Bond/Angle/Dihedral 32.39 ( 0.36% of Force) | FRC Collect time 1991.21 (22.02% of Force) | Other 339.92 ( 3.76% of Force) | Force time 9042.55 (66.27% of Runmd) | Shake time 108.62 ( 0.80% of Runmd) | Verlet update time 880.60 ( 6.45% of Runmd) | Ekcmr time 1615.13 (11.84% of Runmd) | CRD distribute time 1680.55 (12.32% of Runmd) | Other 317.62 ( 2.33% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 875.75 (58.09% of List ) | Other 631.95 (41.91% of List ) | List time 1507.71 (22.45% of Nonbo) | Short_ene time 1429.01 (60.61% of Direc) | Other 928.87 (39.39% of Direc) | Direct Ewald time 2357.88 (45.27% of Ewald) | Adjust Ewald time 20.13 ( 0.39% of Ewald) | Fill Bspline coeffs 369.18 (17.85% of Recip) | Fill charge grid 105.44 ( 5.10% of Recip) | Scalar sum 146.08 ( 7.06% of Recip) | Grad sum 151.98 ( 7.35% of Recip) | FFT back comm time 1060.04 (83.13% of FFT t) | Other 215.18 (16.87% of FFT t) | FFT time 1275.22 (61.64% of Recip) | Other 20.89 ( 1.01% of Recip) | Recip Ewald time 2068.79 (39.72% of Ewald) | Force Adjust 311.03 ( 5.97% of Ewald) | Virial junk 449.09 ( 8.62% of Ewald) | Start sycnronization 0.50 ( 0.01% of Ewald) | Other 0.78 ( 0.01% of Ewald) | Ewald time 5208.37 (77.54% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6716.93 (74.25% of Force) | Bond/Angle/Dihedral 31.39 ( 0.35% of Force) | FRC Collect time 1989.98 (22.00% of Force) | Other 308.05 ( 3.41% of Force) | Force time 9046.36 (66.30% of Runmd) | Shake time 107.93 ( 0.79% of Runmd) | Verlet update time 927.91 ( 6.80% of Runmd) | Ekcmr time 1454.15 (10.66% of Runmd) | CRD distribute time 1845.37 (13.52% of Runmd) | Other 263.35 ( 1.93% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 868.82 (57.48% of List ) | Other 642.59 (42.52% of List ) | List time 1511.41 (22.54% of Nonbo) | Short_ene time 1474.94 (61.01% of Direc) | Other 942.54 (38.99% of Direc) | Direct Ewald time 2417.48 (46.54% of Ewald) | Adjust Ewald time 20.04 ( 0.39% of Ewald) | Fill Bspline coeffs 370.97 (18.02% of Recip) | Fill charge grid 102.32 ( 4.97% of Recip) | Scalar sum 146.17 ( 7.10% of Recip) | Grad sum 153.12 ( 7.44% of Recip) | FFT back comm time 1061.09 (83.73% of FFT t) | Other 206.22 (16.27% of FFT t) | FFT time 1267.31 (61.56% of Recip) | Other 18.79 ( 0.91% of Recip) | Recip Ewald time 2058.68 (39.64% of Ewald) | Force Adjust 236.53 ( 4.55% of Ewald) | Virial junk 459.79 ( 8.85% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5193.88 (77.45% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6706.14 (74.16% of Force) | Bond/Angle/Dihedral 32.23 ( 0.36% of Force) | FRC Collect time 1989.61 (22.00% of Force) | Other 314.42 ( 3.48% of Force) | Force time 9042.40 (66.27% of Runmd) | Shake time 108.85 ( 0.80% of Runmd) | Verlet update time 917.03 ( 6.72% of Runmd) | Ekcmr time 1470.68 (10.78% of Runmd) | CRD distribute time 1837.89 (13.47% of Runmd) | Other 268.22 ( 1.97% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 867.29 (57.48% of List ) | Other 641.67 (42.52% of List ) | List time 1508.96 (22.49% of Nonbo) | Short_ene time 1632.05 (63.85% of Direc) | Other 923.82 (36.15% of Direc) | Direct Ewald time 2555.87 (49.16% of Ewald) | Adjust Ewald time 19.93 ( 0.38% of Ewald) | Self Ewald time 0.54 ( 0.01% of Ewald) | Fill Bspline coeffs 360.24 (17.53% of Recip) | Fill charge grid 108.15 ( 5.26% of Recip) | Scalar sum 146.62 ( 7.13% of Recip) | Grad sum 153.52 ( 7.47% of Recip) | FFT back comm time 1044.76 (82.42% of FFT t) | Other 222.79 (17.58% of FFT t) | FFT time 1267.55 (61.68% of Recip) | Other 19.05 ( 0.93% of Recip) | Recip Ewald time 2055.13 (39.53% of Ewald) | Force Adjust 105.58 ( 2.03% of Ewald) | Virial junk 459.72 ( 8.84% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 1.61 ( 0.03% of Ewald) | Ewald time 5198.95 (77.49% of Nonbo) | Other 1.02 ( 0.02% of Nonbo) | Nonbond force 6709.14 (74.94% of Force) | Bond/Angle/Dihedral 31.05 ( 0.35% of Force) | FRC Collect time 1898.81 (21.21% of Force) | Other 313.98 ( 3.51% of Force) | Force time 8952.98 (65.61% of Runmd) | Shake time 108.98 ( 0.80% of Runmd) | Verlet update time 808.57 ( 5.93% of Runmd) | Ekcmr time 2466.71 (18.08% of Runmd) | CRD distribute time 1121.29 ( 8.22% of Runmd) | Other 186.55 ( 1.37% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 856.03 (56.51% of List ) | Other 658.84 (43.49% of List ) | List time 1514.87 (22.61% of Nonbo) | Short_ene time 1437.01 (60.53% of Direc) | Other 937.03 (39.47% of Direc) | Direct Ewald time 2374.04 (45.80% of Ewald) | Adjust Ewald time 20.24 ( 0.39% of Ewald) | Self Ewald time 0.46 ( 0.01% of Ewald) | Fill Bspline coeffs 366.26 (17.93% of Recip) | Fill charge grid 101.38 ( 4.96% of Recip) | Scalar sum 146.61 ( 7.18% of Recip) | Grad sum 153.86 ( 7.53% of Recip) | FFT back comm time 1046.22 (83.22% of FFT t) | Other 210.91 (16.78% of FFT t) | FFT time 1257.13 (61.54% of Recip) | Other 17.51 ( 0.86% of Recip) | Recip Ewald time 2042.76 (39.41% of Ewald) | Force Adjust 283.93 ( 5.48% of Ewald) | Virial junk 459.57 ( 8.87% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 1.51 ( 0.03% of Ewald) | Ewald time 5182.97 (77.37% of Nonbo) | Other 0.94 ( 0.01% of Nonbo) | Nonbond force 6698.98 (74.85% of Force) | Bond/Angle/Dihedral 32.83 ( 0.37% of Force) | FRC Collect time 1898.86 (21.22% of Force) | Other 319.37 ( 3.57% of Force) | Force time 8950.03 (65.59% of Runmd) | Shake time 109.31 ( 0.80% of Runmd) | Verlet update time 897.46 ( 6.58% of Runmd) | Ekcmr time 1914.32 (14.03% of Runmd) | CRD distribute time 1538.73 (11.28% of Runmd) | Other 235.22 ( 1.72% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 866.69 (57.12% of List ) | Other 650.55 (42.88% of List ) | List time 1517.24 (22.61% of Nonbo) | Short_ene time 1441.00 (60.00% of Direc) | Other 960.79 (40.00% of Direc) | Direct Ewald time 2401.79 (46.25% of Ewald) | Adjust Ewald time 20.03 ( 0.39% of Ewald) | Self Ewald time 0.49 ( 0.01% of Ewald) | Fill Bspline coeffs 362.92 (17.70% of Recip) | Fill charge grid 105.58 ( 5.15% of Recip) | Scalar sum 146.58 ( 7.15% of Recip) | Grad sum 156.49 ( 7.63% of Recip) | FFT back comm time 1046.87 (82.79% of FFT t) | Other 217.62 (17.21% of FFT t) | FFT time 1264.49 (61.68% of Recip) | Other 14.17 ( 0.69% of Recip) | Recip Ewald time 2050.23 (39.48% of Ewald) | Force Adjust 264.57 ( 5.09% of Ewald) | Virial junk 454.18 ( 8.75% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 1.53 ( 0.03% of Ewald) | Ewald time 5193.30 (77.38% of Nonbo) | Other 1.01 ( 0.02% of Nonbo) | Nonbond force 6711.76 (74.95% of Force) | Bond/Angle/Dihedral 31.64 ( 0.35% of Force) | FRC Collect time 1899.73 (21.21% of Force) | Other 312.45 ( 3.49% of Force) | Force time 8955.57 (65.63% of Runmd) | Shake time 107.78 ( 0.79% of Runmd) | Verlet update time 962.77 ( 7.06% of Runmd) | Ekcmr time 1493.46 (10.95% of Runmd) | CRD distribute time 1856.82 (13.61% of Runmd) | Other 268.67 ( 1.97% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 865.51 (57.27% of List ) | Other 645.73 (42.73% of List ) | List time 1511.24 (22.54% of Nonbo) | Short_ene time 1545.35 (62.49% of Direc) | Other 927.61 (37.51% of Direc) | Direct Ewald time 2472.95 (47.62% of Ewald) | Adjust Ewald time 20.09 ( 0.39% of Ewald) | Self Ewald time 0.51 ( 0.01% of Ewald) | Fill Bspline coeffs 361.25 (17.59% of Recip) | Fill charge grid 100.89 ( 4.91% of Recip) | Scalar sum 146.43 ( 7.13% of Recip) | Grad sum 151.70 ( 7.39% of Recip) | FFT back comm time 1047.70 (82.20% of FFT t) | Other 226.91 (17.80% of FFT t) | FFT time 1274.61 (62.07% of Recip) | Other 18.75 ( 0.91% of Recip) | Recip Ewald time 2053.64 (39.55% of Ewald) | Force Adjust 184.49 ( 3.55% of Ewald) | Virial junk 459.35 ( 8.85% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 1.56 ( 0.03% of Ewald) | Ewald time 5193.05 (77.44% of Nonbo) | Other 1.01 ( 0.02% of Nonbo) | Nonbond force 6705.52 (74.90% of Force) | Bond/Angle/Dihedral 32.93 ( 0.37% of Force) | FRC Collect time 1899.45 (21.22% of Force) | Other 314.84 ( 3.52% of Force) | Force time 8952.74 (65.61% of Runmd) | Shake time 108.02 ( 0.79% of Runmd) | Verlet update time 980.99 ( 7.19% of Runmd) | Ekcmr time 1277.18 ( 9.36% of Runmd) | CRD distribute time 2077.90 (15.23% of Runmd) | Other 248.26 ( 1.82% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 863.33 (57.29% of List ) | Other 643.50 (42.71% of List ) | List time 1506.83 (22.49% of Nonbo) | Short_ene time 1431.09 (60.54% of Direc) | Other 932.80 (39.46% of Direc) | Direct Ewald time 2363.89 (45.53% of Ewald) | Adjust Ewald time 20.07 ( 0.39% of Ewald) | Self Ewald time 0.51 ( 0.01% of Ewald) | Fill Bspline coeffs 369.12 (18.03% of Recip) | Fill charge grid 103.38 ( 5.05% of Recip) | Scalar sum 146.51 ( 7.16% of Recip) | Grad sum 154.86 ( 7.56% of Recip) | FFT back comm time 1051.88 (83.50% of FFT t) | Other 207.92 (16.50% of FFT t) | FFT time 1259.80 (61.53% of Recip) | Other 13.65 ( 0.67% of Recip) | Recip Ewald time 2047.33 (39.43% of Ewald) | Force Adjust 302.40 ( 5.82% of Ewald) | Virial junk 455.43 ( 8.77% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 1.60 ( 0.03% of Ewald) | Ewald time 5191.73 (77.49% of Nonbo) | Other 1.13 ( 0.02% of Nonbo) | Nonbond force 6699.93 (74.83% of Force) | Bond/Angle/Dihedral 31.82 ( 0.36% of Force) | FRC Collect time 1899.65 (21.22% of Force) | Other 322.32 ( 3.60% of Force) | Force time 8953.71 (65.62% of Runmd) | Shake time 109.68 ( 0.80% of Runmd) | Verlet update time 850.08 ( 6.23% of Runmd) | Ekcmr time 2201.55 (16.13% of Runmd) | CRD distribute time 1317.22 ( 9.65% of Runmd) | Other 212.82 ( 1.56% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 864.76 (57.33% of List ) | Other 643.58 (42.67% of List ) | List time 1508.34 (22.47% of Nonbo) | Short_ene time 1396.31 (59.89% of Direc) | Other 935.02 (40.11% of Direc) | Direct Ewald time 2331.33 (44.80% of Ewald) | Adjust Ewald time 20.45 ( 0.39% of Ewald) | Self Ewald time 0.52 ( 0.01% of Ewald) | Fill Bspline coeffs 364.69 (17.66% of Recip) | Fill charge grid 104.91 ( 5.08% of Recip) | Scalar sum 146.17 ( 7.08% of Recip) | Grad sum 153.30 ( 7.43% of Recip) | FFT back comm time 1055.40 (82.33% of FFT t) | Other 226.45 (17.67% of FFT t) | FFT time 1281.85 (62.09% of Recip) | Other 13.65 ( 0.66% of Recip) | Recip Ewald time 2064.56 (39.67% of Ewald) | Force Adjust 326.04 ( 6.26% of Ewald) | Virial junk 459.19 ( 8.82% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 1.64 ( 0.03% of Ewald) | Ewald time 5204.29 (77.52% of Nonbo) | Other 1.01 ( 0.02% of Nonbo) | Nonbond force 6713.88 (75.01% of Force) | Bond/Angle/Dihedral 32.88 ( 0.37% of Force) | FRC Collect time 1899.28 (21.22% of Force) | Other 304.49 ( 3.40% of Force) | Force time 8950.52 (65.60% of Runmd) | Shake time 107.33 ( 0.79% of Runmd) | Verlet update time 986.06 ( 7.23% of Runmd) | Ekcmr time 1384.62 (10.15% of Runmd) | CRD distribute time 1917.71 (14.05% of Runmd) | Other 298.84 ( 2.19% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 867.38 (57.48% of List ) | Other 641.62 (42.52% of List ) | List time 1508.99 (22.45% of Nonbo) | Short_ene time 1545.27 (62.15% of Direc) | Other 941.10 (37.85% of Direc) | Direct Ewald time 2486.37 (47.72% of Ewald) | Adjust Ewald time 19.95 ( 0.38% of Ewald) | Self Ewald time 0.52 ( 0.01% of Ewald) | Fill Bspline coeffs 361.49 (17.49% of Recip) | Fill charge grid 111.81 ( 5.41% of Recip) | Scalar sum 146.40 ( 7.08% of Recip) | Grad sum 154.98 ( 7.50% of Recip) | FFT back comm time 1056.55 (82.49% of FFT t) | Other 224.34 (17.51% of FFT t) | FFT time 1280.89 (61.98% of Recip) | Other 11.08 ( 0.54% of Recip) | Recip Ewald time 2066.64 (39.67% of Ewald) | Force Adjust 177.79 ( 3.41% of Ewald) | Virial junk 456.30 ( 8.76% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 1.66 ( 0.03% of Ewald) | Ewald time 5209.88 (77.52% of Nonbo) | Other 1.14 ( 0.02% of Nonbo) | Nonbond force 6720.26 (75.05% of Force) | Bond/Angle/Dihedral 32.01 ( 0.36% of Force) | FRC Collect time 1897.78 (21.19% of Force) | Other 304.73 ( 3.40% of Force) | Force time 8954.78 (65.63% of Runmd) | Shake time 109.45 ( 0.80% of Runmd) | Verlet update time 965.76 ( 7.08% of Runmd) | Ekcmr time 1435.47 (10.52% of Runmd) | CRD distribute time 1925.97 (14.11% of Runmd) | Other 253.65 ( 1.86% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 863.41 (56.65% of List ) | Other 660.63 (43.35% of List ) | List time 1524.03 (22.70% of Nonbo) | Short_ene time 1462.73 (60.26% of Direc) | Other 964.44 (39.74% of Direc) | Direct Ewald time 2427.17 (46.78% of Ewald) | Adjust Ewald time 19.96 ( 0.38% of Ewald) | Self Ewald time 0.48 ( 0.01% of Ewald) | Fill Bspline coeffs 364.94 (17.81% of Recip) | Fill charge grid 101.98 ( 4.98% of Recip) | Scalar sum 146.29 ( 7.14% of Recip) | Grad sum 154.61 ( 7.54% of Recip) | FFT back comm time 1057.19 (83.20% of FFT t) | Other 213.46 (16.80% of FFT t) | FFT time 1270.64 (62.00% of Recip) | Other 10.98 ( 0.54% of Recip) | Recip Ewald time 2049.44 (39.50% of Ewald) | Force Adjust 230.38 ( 4.44% of Ewald) | Virial junk 459.52 ( 8.86% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 1.52 ( 0.03% of Ewald) | Ewald time 5188.96 (77.28% of Nonbo) | Other 0.99 ( 0.01% of Nonbo) | Nonbond force 6714.21 (75.01% of Force) | Bond/Angle/Dihedral 32.87 ( 0.37% of Force) | FRC Collect time 1897.38 (21.20% of Force) | Other 306.18 ( 3.42% of Force) | Force time 8950.63 (65.60% of Runmd) | Shake time 109.16 ( 0.80% of Runmd) | Verlet update time 1006.28 ( 7.37% of Runmd) | Ekcmr time 1265.13 ( 9.27% of Runmd) | CRD distribute time 2074.31 (15.20% of Runmd) | Other 239.57 ( 1.76% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 859.63 (56.63% of List ) | Other 658.35 (43.37% of List ) | List time 1517.98 (22.61% of Nonbo) | Short_ene time 1384.34 (58.96% of Direc) | Other 963.60 (41.04% of Direc) | Direct Ewald time 2347.94 (45.19% of Ewald) | Adjust Ewald time 20.19 ( 0.39% of Ewald) | Fill Bspline coeffs 360.65 (17.56% of Recip) | Fill charge grid 92.56 ( 4.51% of Recip) | Scalar sum 146.03 ( 7.11% of Recip) | Grad sum 131.27 ( 6.39% of Recip) | FFT back comm time 1046.61 (81.40% of FFT t) | Other 239.18 (18.60% of FFT t) | FFT time 1285.79 (62.61% of Recip) | Other 37.26 ( 1.81% of Recip) | Recip Ewald time 2053.55 (39.52% of Ewald) | Force Adjust 319.83 ( 6.16% of Ewald) | Virial junk 453.14 ( 8.72% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.80 ( 0.02% of Ewald) | Ewald time 5196.11 (77.38% of Nonbo) | Other 0.77 ( 0.01% of Nonbo) | Nonbond force 6714.99 (74.99% of Force) | Bond/Angle/Dihedral 32.10 ( 0.36% of Force) | FRC Collect time 1900.91 (21.23% of Force) | Other 305.93 ( 3.42% of Force) | Force time 8953.93 (65.62% of Runmd) | Shake time 108.10 ( 0.79% of Runmd) | Verlet update time 871.19 ( 6.38% of Runmd) | Ekcmr time 2099.61 (15.39% of Runmd) | CRD distribute time 1357.93 ( 9.95% of Runmd) | Other 254.33 ( 1.86% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 864.33 (56.97% of List ) | Other 652.71 (43.03% of List ) | List time 1517.03 (22.62% of Nonbo) | Short_ene time 1463.12 (61.28% of Direc) | Other 924.41 (38.72% of Direc) | Direct Ewald time 2387.53 (46.01% of Ewald) | Adjust Ewald time 20.02 ( 0.39% of Ewald) | Fill Bspline coeffs 354.35 (17.27% of Recip) | Fill charge grid 92.72 ( 4.52% of Recip) | Scalar sum 145.99 ( 7.11% of Recip) | Grad sum 131.94 ( 6.43% of Recip) | FFT back comm time 1046.43 (81.08% of FFT t) | Other 244.12 (18.92% of FFT t) | FFT time 1290.55 (62.89% of Recip) | Other 36.42 ( 1.78% of Recip) | Recip Ewald time 2051.98 (39.54% of Ewald) | Force Adjust 269.70 ( 5.20% of Ewald) | Virial junk 458.98 ( 8.84% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5189.59 (77.37% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6707.45 (74.94% of Force) | Bond/Angle/Dihedral 33.03 ( 0.37% of Force) | FRC Collect time 1900.98 (21.24% of Force) | Other 309.14 ( 3.45% of Force) | Force time 8950.60 (65.60% of Runmd) | Shake time 107.14 ( 0.79% of Runmd) | Verlet update time 879.60 ( 6.45% of Runmd) | Ekcmr time 2040.88 (14.96% of Runmd) | CRD distribute time 1427.04 (10.46% of Runmd) | Other 239.81 ( 1.76% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 864.52 (56.89% of List ) | Other 655.10 (43.11% of List ) | List time 1519.62 (22.64% of Nonbo) | Short_ene time 1450.94 (60.70% of Direc) | Other 939.41 (39.30% of Direc) | Direct Ewald time 2390.35 (46.04% of Ewald) | Adjust Ewald time 20.34 ( 0.39% of Ewald) | Fill Bspline coeffs 334.15 (16.30% of Recip) | Fill charge grid 67.72 ( 3.30% of Recip) | Scalar sum 73.79 ( 3.60% of Recip) | Grad sum 99.90 ( 4.87% of Recip) | FFT back comm time 1046.71 (75.88% of FFT t) | Other 332.74 (24.12% of FFT t) | FFT time 1379.45 (67.29% of Recip) | Other 94.96 ( 4.63% of Recip) | Recip Ewald time 2049.97 (39.48% of Ewald) | Force Adjust 280.87 ( 5.41% of Ewald) | Virial junk 449.55 ( 8.66% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5192.42 (77.35% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6712.88 (74.96% of Force) | Bond/Angle/Dihedral 31.73 ( 0.35% of Force) | FRC Collect time 1899.77 (21.21% of Force) | Other 310.63 ( 3.47% of Force) | Force time 8955.02 (65.63% of Runmd) | Shake time 109.62 ( 0.80% of Runmd) | Verlet update time 930.69 ( 6.82% of Runmd) | Ekcmr time 1729.67 (12.68% of Runmd) | CRD distribute time 1669.64 (12.24% of Runmd) | Other 250.45 ( 1.84% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 859.40 (56.54% of List ) | Other 660.68 (43.46% of List ) | List time 1520.08 (22.69% of Nonbo) | Short_ene time 1383.10 (58.91% of Direc) | Other 964.77 (41.09% of Direc) | Direct Ewald time 2347.87 (45.34% of Ewald) | Adjust Ewald time 20.01 ( 0.39% of Ewald) | Fill Bspline coeffs 334.33 (16.39% of Recip) | Fill charge grid 64.88 ( 3.18% of Recip) | Scalar sum 73.83 ( 3.62% of Recip) | Grad sum 101.68 ( 4.98% of Recip) | FFT back comm time 1047.66 (76.31% of FFT t) | Other 325.23 (23.69% of FFT t) | FFT time 1372.89 (67.29% of Recip) | Other 92.58 ( 4.54% of Recip) | Recip Ewald time 2040.20 (39.40% of Ewald) | Force Adjust 313.31 ( 6.05% of Ewald) | Virial junk 455.45 ( 8.80% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 5178.10 (77.30% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6699.03 (74.83% of Force) | Bond/Angle/Dihedral 32.28 ( 0.36% of Force) | FRC Collect time 1899.44 (21.22% of Force) | Other 321.03 ( 3.59% of Force) | Force time 8951.78 (65.60% of Runmd) | Shake time 109.21 ( 0.80% of Runmd) | Verlet update time 951.27 ( 6.97% of Runmd) | Ekcmr time 1359.62 ( 9.96% of Runmd) | CRD distribute time 2069.82 (15.17% of Runmd) | Other 203.38 ( 1.49% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 862.87 (57.17% of List ) | Other 646.56 (42.83% of List ) | List time 1509.43 (22.52% of Nonbo) | Short_ene time 1426.84 (60.86% of Direc) | Other 917.71 (39.14% of Direc) | Direct Ewald time 2344.55 (45.15% of Ewald) | Adjust Ewald time 20.12 ( 0.39% of Ewald) | Fill Bspline coeffs 339.53 (16.55% of Recip) | Fill charge grid 62.25 ( 3.03% of Recip) | Scalar sum 73.68 ( 3.59% of Recip) | Grad sum 101.33 ( 4.94% of Recip) | FFT back comm time 1051.83 (76.04% of FFT t) | Other 331.39 (23.96% of FFT t) | FFT time 1383.22 (67.42% of Recip) | Other 91.71 ( 4.47% of Recip) | Recip Ewald time 2051.72 (39.51% of Ewald) | Force Adjust 325.98 ( 6.28% of Ewald) | Virial junk 449.72 ( 8.66% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 5193.34 (77.47% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6703.55 (74.87% of Force) | Bond/Angle/Dihedral 31.46 ( 0.35% of Force) | FRC Collect time 1899.82 (21.22% of Force) | Other 318.77 ( 3.56% of Force) | Force time 8953.61 (65.62% of Runmd) | Shake time 107.22 ( 0.79% of Runmd) | Verlet update time 871.39 ( 6.39% of Runmd) | Ekcmr time 2015.95 (14.77% of Runmd) | CRD distribute time 1465.88 (10.74% of Runmd) | Other 231.02 ( 1.69% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 858.09 (56.57% of List ) | Other 658.90 (43.43% of List ) | List time 1516.99 (22.65% of Nonbo) | Short_ene time 1432.06 (60.39% of Direc) | Other 939.37 (39.61% of Direc) | Direct Ewald time 2371.43 (45.77% of Ewald) | Adjust Ewald time 20.51 ( 0.40% of Ewald) | Fill Bspline coeffs 331.97 (16.24% of Recip) | Fill charge grid 66.13 ( 3.24% of Recip) | Scalar sum 73.38 ( 3.59% of Recip) | Grad sum 100.82 ( 4.93% of Recip) | FFT back comm time 1053.46 (76.38% of FFT t) | Other 325.81 (23.62% of FFT t) | FFT time 1379.27 (67.48% of Recip) | Other 92.29 ( 4.52% of Recip) | Recip Ewald time 2043.86 (39.45% of Ewald) | Force Adjust 286.81 ( 5.54% of Ewald) | Virial junk 456.83 ( 8.82% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5180.83 (77.34% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6698.65 (74.85% of Force) | Bond/Angle/Dihedral 33.18 ( 0.37% of Force) | FRC Collect time 1899.26 (21.22% of Force) | Other 318.48 ( 3.56% of Force) | Force time 8949.57 (65.59% of Runmd) | Shake time 108.75 ( 0.80% of Runmd) | Verlet update time 928.52 ( 6.80% of Runmd) | Ekcmr time 1700.99 (12.47% of Runmd) | CRD distribute time 1722.80 (12.63% of Runmd) | Other 234.45 ( 1.72% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 872.96 (57.63% of List ) | Other 641.89 (42.37% of List ) | List time 1514.85 (22.51% of Nonbo) | Short_ene time 1395.34 (59.74% of Direc) | Other 940.29 (40.26% of Direc) | Direct Ewald time 2335.63 (44.79% of Ewald) | Adjust Ewald time 20.76 ( 0.40% of Ewald) | Fill Bspline coeffs 323.63 (15.61% of Recip) | Fill charge grid 75.04 ( 3.62% of Recip) | Scalar sum 73.55 ( 3.55% of Recip) | Grad sum 102.11 ( 4.92% of Recip) | FFT back comm time 1055.06 (74.86% of FFT t) | Other 354.37 (25.14% of FFT t) | FFT time 1409.43 (67.96% of Recip) | Other 90.07 ( 4.34% of Recip) | Recip Ewald time 2073.83 (39.77% of Ewald) | Force Adjust 334.23 ( 6.41% of Ewald) | Virial junk 449.12 ( 8.61% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.83 ( 0.02% of Ewald) | Ewald time 5215.11 (77.48% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6730.83 (75.18% of Force) | Bond/Angle/Dihedral 32.66 ( 0.36% of Force) | FRC Collect time 1897.68 (21.20% of Force) | Other 292.26 ( 3.26% of Force) | Force time 8953.43 (65.62% of Runmd) | Shake time 108.88 ( 0.80% of Runmd) | Verlet update time 967.31 ( 7.09% of Runmd) | Ekcmr time 1315.35 ( 9.64% of Runmd) | CRD distribute time 2084.12 (15.27% of Runmd) | Other 215.99 ( 1.58% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 867.08 (57.73% of List ) | Other 634.99 (42.27% of List ) | List time 1502.07 (22.43% of Nonbo) | Short_ene time 1416.87 (60.80% of Direc) | Other 913.35 (39.20% of Direc) | Direct Ewald time 2330.22 (44.86% of Ewald) | Adjust Ewald time 18.45 ( 0.36% of Ewald) | Fill Bspline coeffs 327.76 (15.94% of Recip) | Fill charge grid 69.20 ( 3.37% of Recip) | Scalar sum 73.47 ( 3.57% of Recip) | Grad sum 101.52 ( 4.94% of Recip) | FFT back comm time 1056.43 (75.77% of FFT t) | Other 337.88 (24.23% of FFT t) | FFT time 1394.31 (67.80% of Recip) | Other 90.14 ( 4.38% of Recip) | Recip Ewald time 2056.40 (39.59% of Ewald) | Force Adjust 330.62 ( 6.37% of Ewald) | Virial junk 456.77 ( 8.79% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5193.85 (77.56% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6696.75 (74.83% of Force) | Bond/Angle/Dihedral 33.12 ( 0.37% of Force) | FRC Collect time 1897.40 (21.20% of Force) | Other 322.44 ( 3.60% of Force) | Force time 8949.71 (65.59% of Runmd) | Shake time 109.14 ( 0.80% of Runmd) | Verlet update time 959.80 ( 7.03% of Runmd) | Ekcmr time 1352.39 ( 9.91% of Runmd) | CRD distribute time 2049.73 (15.02% of Runmd) | Other 224.31 ( 1.64% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 32 | Build the list 861.32 (56.61% of List ) | Other 660.19 (43.39% of List ) | List time 1521.52 (22.71% of Nonbo) | Short_ene time 1426.83 (60.14% of Direc) | Other 945.74 (39.86% of Direc) | Direct Ewald time 2372.57 (45.83% of Ewald) | Adjust Ewald time 18.30 ( 0.35% of Ewald) | Fill Bspline coeffs 329.62 (16.16% of Recip) | Fill charge grid 61.28 ( 3.00% of Recip) | Scalar sum 73.84 ( 3.62% of Recip) | Grad sum 101.96 ( 5.00% of Recip) | FFT back comm time 1043.90 (75.89% of FFT t) | Other 331.65 (24.11% of FFT t) | FFT time 1375.55 (67.42% of Recip) | Other 97.87 ( 4.80% of Recip) | Recip Ewald time 2040.13 (39.40% of Ewald) | Force Adjust 299.76 ( 5.79% of Ewald) | Virial junk 445.27 ( 8.60% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5177.37 (77.28% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6699.73 (75.82% of Force) | Bond/Angle/Dihedral 32.65 ( 0.37% of Force) | FRC Collect time 1780.01 (20.14% of Force) | Other 324.51 ( 3.67% of Force) | Force time 8836.89 (64.76% of Runmd) | Shake time 108.21 ( 0.79% of Runmd) | Verlet update time 996.68 ( 7.30% of Runmd) | Ekcmr time 1991.55 (14.60% of Runmd) | CRD distribute time 1411.01 (10.34% of Runmd) | Other 300.73 ( 2.20% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 33 | Build the list 862.21 (56.85% of List ) | Other 654.52 (43.15% of List ) | List time 1516.73 (22.63% of Nonbo) | Short_ene time 1415.04 (60.18% of Direc) | Other 936.40 (39.82% of Direc) | Direct Ewald time 2351.44 (45.36% of Ewald) | Adjust Ewald time 18.30 ( 0.35% of Ewald) | Fill Bspline coeffs 335.72 (16.37% of Recip) | Fill charge grid 59.74 ( 2.91% of Recip) | Scalar sum 73.83 ( 3.60% of Recip) | Grad sum 100.19 ( 4.88% of Recip) | FFT back comm time 1044.16 (75.54% of FFT t) | Other 338.11 (24.46% of FFT t) | FFT time 1382.27 (67.39% of Recip) | Other 99.34 ( 4.84% of Recip) | Recip Ewald time 2051.08 (39.57% of Ewald) | Force Adjust 309.76 ( 5.98% of Ewald) | Virial junk 451.68 ( 8.71% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 5183.53 (77.35% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6701.08 (75.85% of Force) | Bond/Angle/Dihedral 33.21 ( 0.38% of Force) | FRC Collect time 1780.12 (20.15% of Force) | Other 320.20 ( 3.62% of Force) | Force time 8834.60 (64.75% of Runmd) | Shake time 106.13 ( 0.78% of Runmd) | Verlet update time 1154.53 ( 8.46% of Runmd) | Ekcmr time 1387.95 (10.17% of Runmd) | CRD distribute time 1744.44 (12.78% of Runmd) | Other 417.42 ( 3.06% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 34 | Build the list 860.64 (56.61% of List ) | Other 659.68 (43.39% of List ) | List time 1520.31 (22.64% of Nonbo) | Short_ene time 1410.18 (59.96% of Direc) | Other 941.54 (40.04% of Direc) | Direct Ewald time 2351.72 (45.29% of Ewald) | Adjust Ewald time 18.38 ( 0.35% of Ewald) | Fill Bspline coeffs 331.47 (16.12% of Recip) | Fill charge grid 67.31 ( 3.27% of Recip) | Scalar sum 73.76 ( 3.59% of Recip) | Grad sum 103.01 ( 5.01% of Recip) | FFT back comm time 1045.77 (75.52% of FFT t) | Other 338.92 (24.48% of FFT t) | FFT time 1384.69 (67.35% of Recip) | Other 95.88 ( 4.66% of Recip) | Recip Ewald time 2056.11 (39.59% of Ewald) | Force Adjust 326.56 ( 6.29% of Ewald) | Virial junk 438.76 ( 8.45% of Ewald) | Start sycnronization 0.50 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5192.98 (77.34% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6714.16 (75.98% of Force) | Bond/Angle/Dihedral 31.82 ( 0.36% of Force) | FRC Collect time 1778.99 (20.13% of Force) | Other 311.95 ( 3.53% of Force) | Force time 8836.93 (64.76% of Runmd) | Shake time 108.20 ( 0.79% of Runmd) | Verlet update time 1172.79 ( 8.59% of Runmd) | Ekcmr time 1382.89 (10.13% of Runmd) | CRD distribute time 1763.51 (12.92% of Runmd) | Other 380.76 ( 2.79% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 35 | Build the list 863.51 (56.96% of List ) | Other 652.47 (43.04% of List ) | List time 1515.99 (22.60% of Nonbo) | Short_ene time 1408.09 (60.04% of Direc) | Other 937.22 (39.96% of Direc) | Direct Ewald time 2345.31 (45.18% of Ewald) | Adjust Ewald time 18.35 ( 0.35% of Ewald) | Fill Bspline coeffs 329.01 (15.99% of Recip) | Fill charge grid 65.48 ( 3.18% of Recip) | Scalar sum 73.71 ( 3.58% of Recip) | Grad sum 103.23 ( 5.02% of Recip) | FFT back comm time 1047.79 (75.25% of FFT t) | Other 344.63 (24.75% of FFT t) | FFT time 1392.42 (67.66% of Recip) | Other 93.98 ( 4.57% of Recip) | Recip Ewald time 2057.82 (39.64% of Ewald) | Force Adjust 319.46 ( 6.15% of Ewald) | Virial junk 448.30 ( 8.64% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5190.62 (77.39% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6707.43 (75.92% of Force) | Bond/Angle/Dihedral 33.21 ( 0.38% of Force) | FRC Collect time 1778.69 (20.13% of Force) | Other 315.13 ( 3.57% of Force) | Force time 8834.46 (64.74% of Runmd) | Shake time 107.48 ( 0.79% of Runmd) | Verlet update time 1283.17 ( 9.40% of Runmd) | Ekcmr time 1101.27 ( 8.07% of Runmd) | CRD distribute time 1941.12 (14.23% of Runmd) | Other 377.58 ( 2.77% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 36 | Build the list 863.87 (57.40% of List ) | Other 641.13 (42.60% of List ) | List time 1505.00 (22.45% of Nonbo) | Short_ene time 1412.53 (59.70% of Direc) | Other 953.57 (40.30% of Direc) | Direct Ewald time 2366.10 (45.52% of Ewald) | Adjust Ewald time 18.33 ( 0.35% of Ewald) | Fill Bspline coeffs 323.86 (15.72% of Recip) | Fill charge grid 69.61 ( 3.38% of Recip) | Scalar sum 73.29 ( 3.56% of Recip) | Grad sum 104.96 ( 5.10% of Recip) | FFT back comm time 1054.63 (75.41% of FFT t) | Other 343.96 (24.59% of FFT t) | FFT time 1398.59 (67.90% of Recip) | Other 89.44 ( 4.34% of Recip) | Recip Ewald time 2059.75 (39.63% of Ewald) | Force Adjust 311.32 ( 5.99% of Ewald) | Virial junk 440.81 ( 8.48% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.81 ( 0.02% of Ewald) | Ewald time 5197.82 (77.54% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6703.67 (75.86% of Force) | Bond/Angle/Dihedral 32.61 ( 0.37% of Force) | FRC Collect time 1779.89 (20.14% of Force) | Other 320.30 ( 3.62% of Force) | Force time 8836.47 (64.76% of Runmd) | Shake time 107.94 ( 0.79% of Runmd) | Verlet update time 1139.90 ( 8.35% of Runmd) | Ekcmr time 1505.88 (11.04% of Runmd) | CRD distribute time 1690.05 (12.39% of Runmd) | Other 364.84 ( 2.67% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 37 | Build the list 863.85 (56.99% of List ) | Other 651.85 (43.01% of List ) | List time 1515.69 (22.61% of Nonbo) | Short_ene time 1417.20 (60.24% of Direc) | Other 935.48 (39.76% of Direc) | Direct Ewald time 2352.68 (45.34% of Ewald) | Adjust Ewald time 18.26 ( 0.35% of Ewald) | Fill Bspline coeffs 326.85 (15.91% of Recip) | Fill charge grid 67.00 ( 3.26% of Recip) | Scalar sum 73.20 ( 3.56% of Recip) | Grad sum 103.90 ( 5.06% of Recip) | FFT back comm time 1055.37 (75.75% of FFT t) | Other 337.81 (24.25% of FFT t) | FFT time 1393.18 (67.80% of Recip) | Other 90.60 ( 4.41% of Recip) | Recip Ewald time 2054.73 (39.60% of Ewald) | Force Adjust 311.32 ( 6.00% of Ewald) | Virial junk 450.01 ( 8.67% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.79 ( 0.02% of Ewald) | Ewald time 5188.45 (77.38% of Nonbo) | Other 0.75 ( 0.01% of Nonbo) | Nonbond force 6705.02 (75.90% of Force) | Bond/Angle/Dihedral 33.15 ( 0.38% of Force) | FRC Collect time 1779.64 (20.14% of Force) | Other 316.37 ( 3.58% of Force) | Force time 8834.18 (64.74% of Runmd) | Shake time 106.87 ( 0.78% of Runmd) | Verlet update time 1160.01 ( 8.50% of Runmd) | Ekcmr time 1370.63 (10.04% of Runmd) | CRD distribute time 1795.49 (13.16% of Runmd) | Other 377.90 ( 2.77% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 38 | Build the list 867.20 (56.72% of List ) | Other 661.84 (43.28% of List ) | List time 1529.04 (22.72% of Nonbo) | Short_ene time 1410.01 (60.10% of Direc) | Other 936.27 (39.90% of Direc) | Direct Ewald time 2346.28 (45.13% of Ewald) | Adjust Ewald time 18.35 ( 0.35% of Ewald) | Fill Bspline coeffs 330.57 (16.03% of Recip) | Fill charge grid 69.08 ( 3.35% of Recip) | Scalar sum 73.24 ( 3.55% of Recip) | Grad sum 103.76 ( 5.03% of Recip) | FFT back comm time 1054.35 (75.68% of FFT t) | Other 338.85 (24.32% of FFT t) | FFT time 1393.20 (67.56% of Recip) | Other 92.25 ( 4.47% of Recip) | Recip Ewald time 2062.09 (39.66% of Ewald) | Force Adjust 330.49 ( 6.36% of Ewald) | Virial junk 440.70 ( 8.48% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5199.32 (77.27% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6729.21 (76.15% of Force) | Bond/Angle/Dihedral 31.85 ( 0.36% of Force) | FRC Collect time 1777.74 (20.12% of Force) | Other 297.94 ( 3.37% of Force) | Force time 8836.74 (64.76% of Runmd) | Shake time 107.71 ( 0.79% of Runmd) | Verlet update time 1264.65 ( 9.27% of Runmd) | Ekcmr time 1185.97 ( 8.69% of Runmd) | CRD distribute time 1885.29 (13.82% of Runmd) | Other 364.71 ( 2.67% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 39 | Build the list 862.59 (56.71% of List ) | Other 658.56 (43.29% of List ) | List time 1521.15 (22.71% of Nonbo) | Short_ene time 1399.24 (59.38% of Direc) | Other 957.35 (40.62% of Direc) | Direct Ewald time 2356.59 (45.52% of Ewald) | Adjust Ewald time 18.33 ( 0.35% of Ewald) | Fill Bspline coeffs 332.57 (16.26% of Recip) | Fill charge grid 62.52 ( 3.06% of Recip) | Scalar sum 73.20 ( 3.58% of Recip) | Grad sum 102.97 ( 5.03% of Recip) | FFT back comm time 1055.65 (76.39% of FFT t) | Other 326.25 (23.61% of FFT t) | FFT time 1381.90 (67.55% of Recip) | Other 92.46 ( 4.52% of Recip) | Recip Ewald time 2045.62 (39.51% of Ewald) | Force Adjust 305.85 ( 5.91% of Ewald) | Virial junk 449.47 ( 8.68% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 5177.12 (77.28% of Nonbo) | Other 0.61 ( 0.01% of Nonbo) | Nonbond force 6699.00 (75.84% of Force) | Bond/Angle/Dihedral 33.41 ( 0.38% of Force) | FRC Collect time 1777.34 (20.12% of Force) | Other 323.81 ( 3.67% of Force) | Force time 8833.55 (64.74% of Runmd) | Shake time 109.09 ( 0.80% of Runmd) | Verlet update time 1246.06 ( 9.13% of Runmd) | Ekcmr time 1204.12 ( 8.82% of Runmd) | CRD distribute time 1890.57 (13.86% of Runmd) | Other 361.68 ( 2.65% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 40 | Build the list 871.39 (58.25% of List ) | Other 624.63 (41.75% of List ) | List time 1496.02 (22.29% of Nonbo) | Short_ene time 1432.08 (61.03% of Direc) | Other 914.45 (38.97% of Direc) | Direct Ewald time 2346.53 (45.01% of Ewald) | Adjust Ewald time 18.26 ( 0.35% of Ewald) | Fill Bspline coeffs 324.36 (15.62% of Recip) | Fill charge grid 72.53 ( 3.49% of Recip) | Scalar sum 73.67 ( 3.55% of Recip) | Grad sum 101.94 ( 4.91% of Recip) | FFT back comm time 1050.45 (74.63% of FFT t) | Other 357.05 (25.37% of FFT t) | FFT time 1407.51 (67.77% of Recip) | Other 96.97 ( 4.67% of Recip) | Recip Ewald time 2076.97 (39.84% of Ewald) | Force Adjust 322.31 ( 6.18% of Ewald) | Virial junk 447.81 ( 8.59% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.83 ( 0.02% of Ewald) | Ewald time 5213.48 (77.69% of Nonbo) | Other 0.81 ( 0.01% of Nonbo) | Nonbond force 6710.45 (75.96% of Force) | Bond/Angle/Dihedral 32.36 ( 0.37% of Force) | FRC Collect time 1779.26 (20.14% of Force) | Other 312.18 ( 3.53% of Force) | Force time 8834.25 (64.74% of Runmd) | Shake time 107.73 ( 0.79% of Runmd) | Verlet update time 968.11 ( 7.09% of Runmd) | Ekcmr time 2367.66 (17.35% of Runmd) | CRD distribute time 1146.41 ( 8.40% of Runmd) | Other 220.91 ( 1.62% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 41 | Build the list 854.86 (55.94% of List ) | Other 673.37 (44.06% of List ) | List time 1528.24 (22.81% of Nonbo) | Short_ene time 1385.81 (59.58% of Direc) | Other 940.14 (40.42% of Direc) | Direct Ewald time 2325.96 (44.99% of Ewald) | Adjust Ewald time 18.54 ( 0.36% of Ewald) | Fill Bspline coeffs 335.10 (16.45% of Recip) | Fill charge grid 56.16 ( 2.76% of Recip) | Scalar sum 73.72 ( 3.62% of Recip) | Grad sum 101.45 ( 4.98% of Recip) | FFT back comm time 1051.97 (76.48% of FFT t) | Other 323.47 (23.52% of FFT t) | FFT time 1375.44 (67.51% of Recip) | Other 95.58 ( 4.69% of Recip) | Recip Ewald time 2037.45 (39.41% of Ewald) | Force Adjust 333.98 ( 6.46% of Ewald) | Virial junk 452.45 ( 8.75% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5169.68 (77.17% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6698.75 (75.86% of Force) | Bond/Angle/Dihedral 33.99 ( 0.38% of Force) | FRC Collect time 1779.39 (20.15% of Force) | Other 318.55 ( 3.61% of Force) | Force time 8830.69 (64.72% of Runmd) | Shake time 108.83 ( 0.80% of Runmd) | Verlet update time 1017.18 ( 7.45% of Runmd) | Ekcmr time 2063.04 (15.12% of Runmd) | CRD distribute time 1360.93 ( 9.97% of Runmd) | Other 264.40 ( 1.94% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 42 | Build the list 858.55 (56.25% of List ) | Other 667.73 (43.75% of List ) | List time 1526.28 (22.74% of Nonbo) | Short_ene time 1397.11 (59.53% of Direc) | Other 949.86 (40.47% of Direc) | Direct Ewald time 2346.97 (45.26% of Ewald) | Adjust Ewald time 18.40 ( 0.35% of Ewald) | Fill Bspline coeffs 339.78 (16.59% of Recip) | Fill charge grid 60.22 ( 2.94% of Recip) | Scalar sum 73.74 ( 3.60% of Recip) | Grad sum 102.81 ( 5.02% of Recip) | FFT back comm time 1053.50 (76.43% of FFT t) | Other 324.85 (23.57% of FFT t) | FFT time 1378.35 (67.28% of Recip) | Other 93.64 ( 4.57% of Recip) | Recip Ewald time 2048.53 (39.51% of Ewald) | Force Adjust 327.86 ( 6.32% of Ewald) | Virial junk 442.08 ( 8.53% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5185.21 (77.25% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6712.27 (75.96% of Force) | Bond/Angle/Dihedral 32.21 ( 0.36% of Force) | FRC Collect time 1779.60 (20.14% of Force) | Other 312.19 ( 3.53% of Force) | Force time 8836.27 (64.76% of Runmd) | Shake time 109.02 ( 0.80% of Runmd) | Verlet update time 1140.12 ( 8.36% of Runmd) | Ekcmr time 1475.31 (10.81% of Runmd) | CRD distribute time 1722.68 (12.62% of Runmd) | Other 361.68 ( 2.65% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 43 | Build the list 860.61 (56.61% of List ) | Other 659.55 (43.39% of List ) | List time 1520.16 (22.67% of Nonbo) | Short_ene time 1460.90 (61.27% of Direc) | Other 923.28 (38.73% of Direc) | Direct Ewald time 2384.19 (45.97% of Ewald) | Adjust Ewald time 18.16 ( 0.35% of Ewald) | Fill Bspline coeffs 329.93 (16.06% of Recip) | Fill charge grid 64.39 ( 3.14% of Recip) | Scalar sum 73.57 ( 3.58% of Recip) | Grad sum 103.37 ( 5.03% of Recip) | FFT back comm time 1055.25 (75.91% of FFT t) | Other 334.94 (24.09% of FFT t) | FFT time 1390.20 (67.69% of Recip) | Other 92.40 ( 4.50% of Recip) | Recip Ewald time 2053.85 (39.60% of Ewald) | Force Adjust 278.43 ( 5.37% of Ewald) | Virial junk 449.82 ( 8.67% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.79 ( 0.02% of Ewald) | Ewald time 5185.90 (77.32% of Nonbo) | Other 0.75 ( 0.01% of Nonbo) | Nonbond force 6706.95 (75.93% of Force) | Bond/Angle/Dihedral 33.95 ( 0.38% of Force) | FRC Collect time 1779.35 (20.14% of Force) | Other 312.92 ( 3.54% of Force) | Force time 8833.16 (64.74% of Runmd) | Shake time 108.29 ( 0.79% of Runmd) | Verlet update time 1181.50 ( 8.66% of Runmd) | Ekcmr time 1319.35 ( 9.67% of Runmd) | CRD distribute time 1891.80 (13.86% of Runmd) | Other 310.98 ( 2.28% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 44 | Build the list 869.26 (57.34% of List ) | Other 646.63 (42.66% of List ) | List time 1515.89 (22.55% of Nonbo) | Short_ene time 1389.86 (59.80% of Direc) | Other 934.28 (40.20% of Direc) | Direct Ewald time 2324.13 (44.65% of Ewald) | Adjust Ewald time 18.42 ( 0.35% of Ewald) | Fill Bspline coeffs 324.60 (15.69% of Recip) | Fill charge grid 70.46 ( 3.41% of Recip) | Scalar sum 73.69 ( 3.56% of Recip) | Grad sum 101.15 ( 4.89% of Recip) | FFT back comm time 1058.15 (75.29% of FFT t) | Other 347.21 (24.71% of FFT t) | FFT time 1405.37 (67.93% of Recip) | Other 93.58 ( 4.52% of Recip) | Recip Ewald time 2068.85 (39.74% of Ewald) | Force Adjust 350.03 ( 6.72% of Ewald) | Virial junk 442.61 ( 8.50% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.78 ( 0.01% of Ewald) | Ewald time 5205.54 (77.44% of Nonbo) | Other 0.81 ( 0.01% of Nonbo) | Nonbond force 6722.37 (76.10% of Force) | Bond/Angle/Dihedral 31.79 ( 0.36% of Force) | FRC Collect time 1777.94 (20.13% of Force) | Other 301.49 ( 3.41% of Force) | Force time 8833.59 (64.74% of Runmd) | Shake time 109.79 ( 0.80% of Runmd) | Verlet update time 1097.41 ( 8.04% of Runmd) | Ekcmr time 1722.43 (12.62% of Runmd) | CRD distribute time 1589.22 (11.65% of Runmd) | Other 292.64 ( 2.14% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 45 | Build the list 865.79 (57.29% of List ) | Other 645.41 (42.71% of List ) | List time 1511.20 (22.53% of Nonbo) | Short_ene time 1407.73 (60.04% of Direc) | Other 937.08 (39.96% of Direc) | Direct Ewald time 2344.81 (45.14% of Ewald) | Adjust Ewald time 18.20 ( 0.35% of Ewald) | Fill Bspline coeffs 329.42 (15.97% of Recip) | Fill charge grid 64.93 ( 3.15% of Recip) | Scalar sum 73.33 ( 3.55% of Recip) | Grad sum 103.33 ( 5.01% of Recip) | FFT back comm time 1059.61 (75.61% of FFT t) | Other 341.82 (24.39% of FFT t) | FFT time 1401.44 (67.93% of Recip) | Other 90.75 ( 4.40% of Recip) | Recip Ewald time 2063.20 (39.72% of Ewald) | Force Adjust 315.32 ( 6.07% of Ewald) | Virial junk 451.71 ( 8.70% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5194.59 (77.45% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6706.63 (75.95% of Force) | Bond/Angle/Dihedral 33.95 ( 0.38% of Force) | FRC Collect time 1777.71 (20.13% of Force) | Other 311.77 ( 3.53% of Force) | Force time 8830.06 (64.71% of Runmd) | Shake time 109.17 ( 0.80% of Runmd) | Verlet update time 1098.38 ( 8.05% of Runmd) | Ekcmr time 1615.13 (11.84% of Runmd) | CRD distribute time 1701.43 (12.47% of Runmd) | Other 290.89 ( 2.13% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 46 | Build the list 863.22 (56.67% of List ) | Other 659.90 (43.33% of List ) | List time 1523.12 (22.70% of Nonbo) | Short_ene time 1477.03 (61.32% of Direc) | Other 931.56 (38.68% of Direc) | Direct Ewald time 2408.58 (46.44% of Ewald) | Adjust Ewald time 17.83 ( 0.34% of Ewald) | Fill Bspline coeffs 322.75 (15.74% of Recip) | Fill charge grid 65.68 ( 3.20% of Recip) | Scalar sum 73.26 ( 3.57% of Recip) | Grad sum 101.95 ( 4.97% of Recip) | FFT back comm time 1061.45 (76.06% of FFT t) | Other 334.18 (23.94% of FFT t) | FFT time 1395.64 (68.06% of Recip) | Other 91.28 ( 4.45% of Recip) | Recip Ewald time 2050.56 (39.54% of Ewald) | Force Adjust 264.51 ( 5.10% of Ewald) | Virial junk 443.68 ( 8.55% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 5186.48 (77.29% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6710.45 (75.95% of Force) | Bond/Angle/Dihedral 32.80 ( 0.37% of Force) | FRC Collect time 1778.52 (20.13% of Force) | Other 313.87 ( 3.55% of Force) | Force time 8835.65 (64.75% of Runmd) | Shake time 108.63 ( 0.80% of Runmd) | Verlet update time 1182.36 ( 8.67% of Runmd) | Ekcmr time 1333.93 ( 9.78% of Runmd) | CRD distribute time 1852.36 (13.58% of Runmd) | Other 332.14 ( 2.43% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 47 | Build the list 862.55 (56.50% of List ) | Other 664.10 (43.50% of List ) | List time 1526.65 (22.77% of Nonbo) | Short_ene time 1403.68 (59.68% of Direc) | Other 948.47 (40.32% of Direc) | Direct Ewald time 2352.14 (45.43% of Ewald) | Adjust Ewald time 18.32 ( 0.35% of Ewald) | Fill Bspline coeffs 330.08 (16.14% of Recip) | Fill charge grid 62.38 ( 3.05% of Recip) | Scalar sum 73.21 ( 3.58% of Recip) | Grad sum 102.65 ( 5.02% of Recip) | FFT back comm time 1061.77 (76.57% of FFT t) | Other 324.96 (23.43% of FFT t) | FFT time 1386.73 (67.80% of Recip) | Other 90.41 ( 4.42% of Recip) | Recip Ewald time 2045.46 (39.51% of Ewald) | Force Adjust 308.98 ( 5.97% of Ewald) | Virial junk 450.70 ( 8.71% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.75 ( 0.01% of Ewald) | Ewald time 5176.94 (77.22% of Nonbo) | Other 0.74 ( 0.01% of Nonbo) | Nonbond force 6704.46 (75.91% of Force) | Bond/Angle/Dihedral 34.01 ( 0.39% of Force) | FRC Collect time 1778.18 (20.13% of Force) | Other 315.22 ( 3.57% of Force) | Force time 8831.86 (64.73% of Runmd) | Shake time 109.24 ( 0.80% of Runmd) | Verlet update time 1209.56 ( 8.86% of Runmd) | Ekcmr time 1317.34 ( 9.65% of Runmd) | CRD distribute time 1845.29 (13.52% of Runmd) | Other 331.79 ( 2.43% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 48 | Build the list 861.93 (56.56% of List ) | Other 662.11 (43.44% of List ) | List time 1524.04 (22.69% of Nonbo) | Short_ene time 1392.45 (59.66% of Direc) | Other 941.33 (40.34% of Direc) | Direct Ewald time 2333.78 (44.95% of Ewald) | Adjust Ewald time 18.55 ( 0.36% of Ewald) | Fill Bspline coeffs 332.64 (16.20% of Recip) | Fill charge grid 60.86 ( 2.96% of Recip) | Scalar sum 73.72 ( 3.59% of Recip) | Grad sum 101.50 ( 4.94% of Recip) | FFT back comm time 1048.34 (75.49% of FFT t) | Other 340.37 (24.51% of FFT t) | FFT time 1388.71 (67.62% of Recip) | Other 96.28 ( 4.69% of Recip) | Recip Ewald time 2053.72 (39.56% of Ewald) | Force Adjust 336.18 ( 6.48% of Ewald) | Virial junk 448.13 ( 8.63% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5191.71 (77.30% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6716.56 (76.05% of Force) | Bond/Angle/Dihedral 32.10 ( 0.36% of Force) | FRC Collect time 1776.98 (20.12% of Force) | Other 305.70 ( 3.46% of Force) | Force time 8831.35 (64.72% of Runmd) | Shake time 109.14 ( 0.80% of Runmd) | Verlet update time 945.40 ( 6.93% of Runmd) | Ekcmr time 2416.30 (17.71% of Runmd) | CRD distribute time 1123.12 ( 8.23% of Runmd) | Other 219.77 ( 1.61% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 49 | Build the list 861.27 (56.91% of List ) | Other 652.10 (43.09% of List ) | List time 1513.37 (22.60% of Nonbo) | Short_ene time 1475.41 (61.45% of Direc) | Other 925.70 (38.55% of Direc) | Direct Ewald time 2401.11 (46.33% of Ewald) | Adjust Ewald time 18.03 ( 0.35% of Ewald) | Fill Bspline coeffs 329.47 (16.08% of Recip) | Fill charge grid 60.94 ( 2.97% of Recip) | Scalar sum 73.75 ( 3.60% of Recip) | Grad sum 101.83 ( 4.97% of Recip) | FFT back comm time 1049.05 (75.58% of FFT t) | Other 338.88 (24.42% of FFT t) | FFT time 1387.93 (67.72% of Recip) | Other 95.45 ( 4.66% of Recip) | Recip Ewald time 2049.38 (39.54% of Ewald) | Force Adjust 259.58 ( 5.01% of Ewald) | Virial junk 453.48 ( 8.75% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5182.97 (77.39% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6697.17 (75.86% of Force) | Bond/Angle/Dihedral 33.81 ( 0.38% of Force) | FRC Collect time 1777.19 (20.13% of Force) | Other 320.25 ( 3.63% of Force) | Force time 8828.43 (64.70% of Runmd) | Shake time 109.08 ( 0.80% of Runmd) | Verlet update time 1037.72 ( 7.61% of Runmd) | Ekcmr time 1861.85 (13.64% of Runmd) | CRD distribute time 1543.51 (11.31% of Runmd) | Other 264.50 ( 1.94% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 50 | Build the list 865.41 (57.47% of List ) | Other 640.52 (42.53% of List ) | List time 1505.93 (22.40% of Nonbo) | Short_ene time 1430.28 (60.72% of Direc) | Other 925.27 (39.28% of Direc) | Direct Ewald time 2355.55 (45.15% of Ewald) | Adjust Ewald time 18.40 ( 0.35% of Ewald) | Fill Bspline coeffs 340.26 (16.37% of Recip) | Fill charge grid 68.34 ( 3.29% of Recip) | Scalar sum 73.79 ( 3.55% of Recip) | Grad sum 103.11 ( 4.96% of Recip) | FFT back comm time 1050.46 (75.09% of FFT t) | Other 348.53 (24.91% of FFT t) | FFT time 1398.98 (67.31% of Recip) | Other 94.08 ( 4.53% of Recip) | Recip Ewald time 2078.56 (39.84% of Ewald) | Force Adjust 319.53 ( 6.12% of Ewald) | Virial junk 443.38 ( 8.50% of Ewald) | Start sycnronization 0.59 ( 0.01% of Ewald) | Other 0.90 ( 0.02% of Ewald) | Ewald time 5217.12 (77.59% of Nonbo) | Other 0.85 ( 0.01% of Nonbo) | Nonbond force 6724.03 (76.12% of Force) | Bond/Angle/Dihedral 33.23 ( 0.38% of Force) | FRC Collect time 1777.95 (20.13% of Force) | Other 298.70 ( 3.38% of Force) | Force time 8833.92 (64.74% of Runmd) | Shake time 109.62 ( 0.80% of Runmd) | Verlet update time 1115.33 ( 8.17% of Runmd) | Ekcmr time 1427.87 (10.46% of Runmd) | CRD distribute time 1861.22 (13.64% of Runmd) | Other 297.11 ( 2.18% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 51 | Build the list 867.97 (57.42% of List ) | Other 643.61 (42.58% of List ) | List time 1511.58 (22.55% of Nonbo) | Short_ene time 1381.13 (59.22% of Direc) | Other 951.06 (40.78% of Direc) | Direct Ewald time 2332.19 (44.94% of Ewald) | Adjust Ewald time 18.40 ( 0.35% of Ewald) | Fill Bspline coeffs 323.77 (15.75% of Recip) | Fill charge grid 63.44 ( 3.09% of Recip) | Scalar sum 73.62 ( 3.58% of Recip) | Grad sum 102.21 ( 4.97% of Recip) | FFT back comm time 1051.68 (75.14% of FFT t) | Other 347.95 (24.86% of FFT t) | FFT time 1399.64 (68.07% of Recip) | Other 93.61 ( 4.55% of Recip) | Recip Ewald time 2056.28 (39.62% of Ewald) | Force Adjust 330.96 ( 6.38% of Ewald) | Virial junk 450.30 ( 8.68% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 5189.44 (77.43% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6701.79 (75.89% of Force) | Bond/Angle/Dihedral 33.81 ( 0.38% of Force) | FRC Collect time 1777.86 (20.13% of Force) | Other 317.31 ( 3.59% of Force) | Force time 8830.77 (64.72% of Runmd) | Shake time 107.11 ( 0.78% of Runmd) | Verlet update time 1070.57 ( 7.85% of Runmd) | Ekcmr time 1338.95 ( 9.81% of Runmd) | CRD distribute time 2081.16 (15.25% of Runmd) | Other 216.52 ( 1.59% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 52 | Build the list 869.57 (57.61% of List ) | Other 639.83 (42.39% of List ) | List time 1509.40 (22.47% of Nonbo) | Short_ene time 1488.28 (61.99% of Direc) | Other 912.46 (38.01% of Direc) | Direct Ewald time 2400.74 (46.11% of Ewald) | Adjust Ewald time 17.99 ( 0.35% of Ewald) | Fill Bspline coeffs 329.45 (15.94% of Recip) | Fill charge grid 68.22 ( 3.30% of Recip) | Scalar sum 73.29 ( 3.55% of Recip) | Grad sum 103.07 ( 4.99% of Recip) | FFT back comm time 1054.64 (75.30% of FFT t) | Other 345.99 (24.70% of FFT t) | FFT time 1400.63 (67.76% of Recip) | Other 92.37 ( 4.47% of Recip) | Recip Ewald time 2067.02 (39.70% of Ewald) | Force Adjust 273.44 ( 5.25% of Ewald) | Virial junk 445.29 ( 8.55% of Ewald) | Start sycnronization 0.54 ( 0.01% of Ewald) | Other 0.81 ( 0.02% of Ewald) | Ewald time 5206.01 (77.51% of Nonbo) | Other 0.77 ( 0.01% of Nonbo) | Nonbond force 6716.31 (76.04% of Force) | Bond/Angle/Dihedral 32.48 ( 0.37% of Force) | FRC Collect time 1778.22 (20.13% of Force) | Other 305.08 ( 3.45% of Force) | Force time 8832.09 (64.73% of Runmd) | Shake time 107.37 ( 0.79% of Runmd) | Verlet update time 976.28 ( 7.15% of Runmd) | Ekcmr time 2189.06 (16.04% of Runmd) | CRD distribute time 1321.37 ( 9.68% of Runmd) | Other 218.90 ( 1.60% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 53 | Build the list 860.01 (56.28% of List ) | Other 668.01 (43.72% of List ) | List time 1528.02 (22.79% of Nonbo) | Short_ene time 1431.09 (60.40% of Direc) | Other 938.14 (39.60% of Direc) | Direct Ewald time 2369.23 (45.77% of Ewald) | Adjust Ewald time 18.40 ( 0.36% of Ewald) | Fill Bspline coeffs 329.89 (16.15% of Recip) | Fill charge grid 61.15 ( 2.99% of Recip) | Scalar sum 73.40 ( 3.59% of Recip) | Grad sum 103.40 ( 5.06% of Recip) | FFT back comm time 1056.33 (76.33% of FFT t) | Other 327.62 (23.67% of FFT t) | FFT time 1383.95 (67.76% of Recip) | Other 90.65 ( 4.44% of Recip) | Recip Ewald time 2042.43 (39.46% of Ewald) | Force Adjust 293.67 ( 5.67% of Ewald) | Virial junk 451.16 ( 8.72% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 5176.20 (77.20% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6705.07 (75.94% of Force) | Bond/Angle/Dihedral 33.42 ( 0.38% of Force) | FRC Collect time 1777.82 (20.14% of Force) | Other 312.72 ( 3.54% of Force) | Force time 8829.02 (64.70% of Runmd) | Shake time 109.37 ( 0.80% of Runmd) | Verlet update time 1119.04 ( 8.20% of Runmd) | Ekcmr time 1349.13 ( 9.89% of Runmd) | CRD distribute time 1922.34 (14.09% of Runmd) | Other 316.18 ( 2.32% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 54 | Build the list 859.93 (55.98% of List ) | Other 676.22 (44.02% of List ) | List time 1536.14 (22.86% of Nonbo) | Short_ene time 1406.64 (59.21% of Direc) | Other 969.01 (40.79% of Direc) | Direct Ewald time 2375.66 (45.85% of Ewald) | Adjust Ewald time 18.19 ( 0.35% of Ewald) | Fill Bspline coeffs 328.26 (16.06% of Recip) | Fill charge grid 61.24 ( 3.00% of Recip) | Scalar sum 73.16 ( 3.58% of Recip) | Grad sum 102.46 ( 5.01% of Recip) | FFT back comm time 1057.68 (76.23% of FFT t) | Other 329.74 (23.77% of FFT t) | FFT time 1387.42 (67.88% of Recip) | Other 91.25 ( 4.46% of Recip) | Recip Ewald time 2043.80 (39.44% of Ewald) | Force Adjust 298.06 ( 5.75% of Ewald) | Virial junk 444.81 ( 8.58% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 5181.75 (77.12% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6718.73 (76.06% of Force) | Bond/Angle/Dihedral 33.29 ( 0.38% of Force) | FRC Collect time 1775.91 (20.11% of Force) | Other 304.96 ( 3.45% of Force) | Force time 8832.88 (64.73% of Runmd) | Shake time 112.69 ( 0.83% of Runmd) | Verlet update time 1154.81 ( 8.46% of Runmd) | Ekcmr time 1344.73 ( 9.86% of Runmd) | CRD distribute time 1930.81 (14.15% of Runmd) | Other 269.16 ( 1.97% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 55 | Build the list 863.17 (56.86% of List ) | Other 654.99 (43.14% of List ) | List time 1518.16 (22.66% of Nonbo) | Short_ene time 1501.83 (62.39% of Direc) | Other 905.21 (37.61% of Direc) | Direct Ewald time 2407.04 (46.46% of Ewald) | Adjust Ewald time 18.06 ( 0.35% of Ewald) | Fill Bspline coeffs 321.69 (15.71% of Recip) | Fill charge grid 65.27 ( 3.19% of Recip) | Scalar sum 73.31 ( 3.58% of Recip) | Grad sum 102.14 ( 4.99% of Recip) | FFT back comm time 1058.03 (75.90% of FFT t) | Other 335.89 (24.10% of FFT t) | FFT time 1393.92 (68.06% of Recip) | Other 91.67 ( 4.48% of Recip) | Recip Ewald time 2048.01 (39.53% of Ewald) | Force Adjust 253.42 ( 4.89% of Ewald) | Virial junk 452.79 ( 8.74% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5180.74 (77.33% of Nonbo) | Other 0.76 ( 0.01% of Nonbo) | Nonbond force 6699.78 (75.88% of Force) | Bond/Angle/Dihedral 33.57 ( 0.38% of Force) | FRC Collect time 1775.69 (20.11% of Force) | Other 319.92 ( 3.62% of Force) | Force time 8828.95 (64.70% of Runmd) | Shake time 109.92 ( 0.81% of Runmd) | Verlet update time 1139.83 ( 8.35% of Runmd) | Ekcmr time 1214.38 ( 8.90% of Runmd) | CRD distribute time 2078.43 (15.23% of Runmd) | Other 273.57 ( 2.00% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.53 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 56 | Build the list 859.40 (56.62% of List ) | Other 658.43 (43.38% of List ) | List time 1517.83 (22.63% of Nonbo) | Short_ene time 1404.82 (59.96% of Direc) | Other 938.19 (40.04% of Direc) | Direct Ewald time 2343.01 (45.15% of Ewald) | Adjust Ewald time 18.38 ( 0.35% of Ewald) | Fill Bspline coeffs 326.87 (15.94% of Recip) | Fill charge grid 61.19 ( 2.98% of Recip) | Scalar sum 73.72 ( 3.59% of Recip) | Grad sum 99.67 ( 4.86% of Recip) | FFT back comm time 1033.73 (74.98% of FFT t) | Other 344.99 (25.02% of FFT t) | FFT time 1378.72 (67.21% of Recip) | Other 111.05 ( 5.41% of Recip) | Recip Ewald time 2051.23 (39.53% of Ewald) | Force Adjust 324.90 ( 6.26% of Ewald) | Virial junk 450.00 ( 8.67% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 5188.84 (77.36% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6707.47 (75.95% of Force) | Bond/Angle/Dihedral 34.18 ( 0.39% of Force) | FRC Collect time 1778.57 (20.14% of Force) | Other 311.57 ( 3.53% of Force) | Force time 8831.78 (64.73% of Runmd) | Shake time 107.99 ( 0.79% of Runmd) | Verlet update time 983.38 ( 7.21% of Runmd) | Ekcmr time 2136.48 (15.66% of Runmd) | CRD distribute time 1350.18 ( 9.89% of Runmd) | Other 235.26 ( 1.72% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 57 | Build the list 862.42 (57.34% of List ) | Other 641.70 (42.66% of List ) | List time 1504.12 (22.48% of Nonbo) | Short_ene time 1444.93 (60.08% of Direc) | Other 960.20 (39.92% of Direc) | Direct Ewald time 2405.13 (46.39% of Ewald) | Adjust Ewald time 18.04 ( 0.35% of Ewald) | Fill Bspline coeffs 328.21 (15.99% of Recip) | Fill charge grid 60.98 ( 2.97% of Recip) | Scalar sum 73.74 ( 3.59% of Recip) | Grad sum 100.95 ( 4.92% of Recip) | FFT back comm time 1038.87 (75.15% of FFT t) | Other 343.45 (24.85% of FFT t) | FFT time 1382.32 (67.35% of Recip) | Other 106.37 ( 5.18% of Recip) | Recip Ewald time 2052.58 (39.59% of Ewald) | Force Adjust 252.37 ( 4.87% of Ewald) | Virial junk 455.49 ( 8.78% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 5184.93 (77.50% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6689.88 (75.78% of Force) | Bond/Angle/Dihedral 35.25 ( 0.40% of Force) | FRC Collect time 1778.69 (20.15% of Force) | Other 324.78 ( 3.68% of Force) | Force time 8828.61 (64.70% of Runmd) | Shake time 107.83 ( 0.79% of Runmd) | Verlet update time 1019.55 ( 7.47% of Runmd) | Ekcmr time 2022.92 (14.83% of Runmd) | CRD distribute time 1420.84 (10.41% of Runmd) | Other 245.34 ( 1.80% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 58 | Build the list 868.66 (57.46% of List ) | Other 643.06 (42.54% of List ) | List time 1511.72 (22.55% of Nonbo) | Short_ene time 1457.90 (61.50% of Direc) | Other 912.55 (38.50% of Direc) | Direct Ewald time 2370.45 (45.65% of Ewald) | Adjust Ewald time 18.21 ( 0.35% of Ewald) | Fill Bspline coeffs 324.40 (15.79% of Recip) | Fill charge grid 63.96 ( 3.11% of Recip) | Scalar sum 73.61 ( 3.58% of Recip) | Grad sum 101.52 ( 4.94% of Recip) | FFT back comm time 1040.21 (75.08% of FFT t) | Other 345.19 (24.92% of FFT t) | FFT time 1385.40 (67.42% of Recip) | Other 106.06 ( 5.16% of Recip) | Recip Ewald time 2054.95 (39.57% of Ewald) | Force Adjust 301.02 ( 5.80% of Ewald) | Virial junk 446.63 ( 8.60% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.79 ( 0.02% of Ewald) | Ewald time 5192.71 (77.44% of Nonbo) | Other 0.75 ( 0.01% of Nonbo) | Nonbond force 6705.30 (75.92% of Force) | Bond/Angle/Dihedral 34.15 ( 0.39% of Force) | FRC Collect time 1776.63 (20.12% of Force) | Other 315.78 ( 3.58% of Force) | Force time 8831.86 (64.73% of Runmd) | Shake time 109.59 ( 0.80% of Runmd) | Verlet update time 1056.23 ( 7.74% of Runmd) | Ekcmr time 1718.68 (12.60% of Runmd) | CRD distribute time 1671.79 (12.25% of Runmd) | Other 256.93 ( 1.88% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 59 | Build the list 865.12 (56.95% of List ) | Other 653.85 (43.05% of List ) | List time 1518.97 (22.64% of Nonbo) | Short_ene time 1441.71 (60.77% of Direc) | Other 930.73 (39.23% of Direc) | Direct Ewald time 2372.45 (45.73% of Ewald) | Adjust Ewald time 18.20 ( 0.35% of Ewald) | Fill Bspline coeffs 325.88 (15.86% of Recip) | Fill charge grid 62.75 ( 3.05% of Recip) | Scalar sum 73.50 ( 3.58% of Recip) | Grad sum 101.70 ( 4.95% of Recip) | FFT back comm time 1041.06 (75.13% of FFT t) | Other 344.61 (24.87% of FFT t) | FFT time 1385.67 (67.43% of Recip) | Other 105.57 ( 5.14% of Recip) | Recip Ewald time 2055.07 (39.61% of Ewald) | Force Adjust 288.77 ( 5.57% of Ewald) | Virial junk 452.14 ( 8.72% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.76 ( 0.01% of Ewald) | Ewald time 5187.99 (77.34% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6707.79 (75.98% of Force) | Bond/Angle/Dihedral 35.40 ( 0.40% of Force) | FRC Collect time 1776.49 (20.12% of Force) | Other 309.04 ( 3.50% of Force) | Force time 8828.72 (64.70% of Runmd) | Shake time 109.50 ( 0.80% of Runmd) | Verlet update time 1088.15 ( 7.97% of Runmd) | Ekcmr time 1328.71 ( 9.74% of Runmd) | CRD distribute time 2073.42 (15.20% of Runmd) | Other 216.57 ( 1.59% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 60 | Build the list 867.96 (57.31% of List ) | Other 646.47 (42.69% of List ) | List time 1514.44 (22.53% of Nonbo) | Short_ene time 1447.83 (60.91% of Direc) | Other 929.29 (39.09% of Direc) | Direct Ewald time 2377.12 (45.65% of Ewald) | Adjust Ewald time 18.16 ( 0.35% of Ewald) | Fill Bspline coeffs 318.51 (15.40% of Recip) | Fill charge grid 68.32 ( 3.30% of Recip) | Scalar sum 73.46 ( 3.55% of Recip) | Grad sum 101.98 ( 4.93% of Recip) | FFT back comm time 1045.97 (74.56% of FFT t) | Other 356.81 (25.44% of FFT t) | FFT time 1402.78 (67.83% of Recip) | Other 102.94 ( 4.98% of Recip) | Recip Ewald time 2068.00 (39.72% of Ewald) | Force Adjust 295.03 ( 5.67% of Ewald) | Virial junk 447.11 ( 8.59% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5206.88 (77.46% of Nonbo) | Other 0.76 ( 0.01% of Nonbo) | Nonbond force 6722.21 (76.12% of Force) | Bond/Angle/Dihedral 35.16 ( 0.40% of Force) | FRC Collect time 1776.83 (20.12% of Force) | Other 296.54 ( 3.36% of Force) | Force time 8830.75 (64.72% of Runmd) | Shake time 108.63 ( 0.80% of Runmd) | Verlet update time 1024.37 ( 7.51% of Runmd) | Ekcmr time 1956.83 (14.34% of Runmd) | CRD distribute time 1465.63 (10.74% of Runmd) | Other 258.86 ( 1.90% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 61 | Build the list 861.15 (56.92% of List ) | Other 651.82 (43.08% of List ) | List time 1512.97 (22.58% of Nonbo) | Short_ene time 1509.85 (62.66% of Direc) | Other 899.82 (37.34% of Direc) | Direct Ewald time 2409.67 (46.46% of Ewald) | Adjust Ewald time 17.94 ( 0.35% of Ewald) | Fill Bspline coeffs 329.91 (16.06% of Recip) | Fill charge grid 60.09 ( 2.93% of Recip) | Scalar sum 73.53 ( 3.58% of Recip) | Grad sum 100.17 ( 4.88% of Recip) | FFT back comm time 1047.48 (75.54% of FFT t) | Other 339.18 (24.46% of FFT t) | FFT time 1386.67 (67.51% of Recip) | Other 103.68 ( 5.05% of Recip) | Recip Ewald time 2054.04 (39.60% of Ewald) | Force Adjust 247.59 ( 4.77% of Ewald) | Virial junk 456.32 ( 8.80% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5186.88 (77.41% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6700.66 (75.91% of Force) | Bond/Angle/Dihedral 41.50 ( 0.47% of Force) | FRC Collect time 1776.55 (20.13% of Force) | Other 308.24 ( 3.49% of Force) | Force time 8826.94 (64.69% of Runmd) | Shake time 109.27 ( 0.80% of Runmd) | Verlet update time 1050.87 ( 7.70% of Runmd) | Ekcmr time 1682.85 (12.33% of Runmd) | CRD distribute time 1725.65 (12.65% of Runmd) | Other 249.50 ( 1.83% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 62 | Build the list 863.10 (56.83% of List ) | Other 655.59 (43.17% of List ) | List time 1518.69 (22.62% of Nonbo) | Short_ene time 1442.86 (61.41% of Direc) | Other 906.55 (38.59% of Direc) | Direct Ewald time 2349.41 (45.23% of Ewald) | Adjust Ewald time 18.31 ( 0.35% of Ewald) | Fill Bspline coeffs 329.26 (16.01% of Recip) | Fill charge grid 60.83 ( 2.96% of Recip) | Scalar sum 73.29 ( 3.56% of Recip) | Grad sum 99.02 ( 4.81% of Recip) | FFT back comm time 1048.59 (75.43% of FFT t) | Other 341.50 (24.57% of FFT t) | FFT time 1390.09 (67.57% of Recip) | Other 104.68 ( 5.09% of Recip) | Recip Ewald time 2057.18 (39.61% of Ewald) | Force Adjust 321.33 ( 6.19% of Ewald) | Virial junk 446.59 ( 8.60% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 0.74 ( 0.01% of Ewald) | Ewald time 5194.18 (77.37% of Nonbo) | Other 0.75 ( 0.01% of Nonbo) | Nonbond force 6713.74 (76.01% of Force) | Bond/Angle/Dihedral 39.51 ( 0.45% of Force) | FRC Collect time 1776.34 (20.11% of Force) | Other 302.62 ( 3.43% of Force) | Force time 8832.20 (64.73% of Runmd) | Shake time 108.78 ( 0.80% of Runmd) | Verlet update time 1104.15 ( 8.09% of Runmd) | Ekcmr time 1284.15 ( 9.41% of Runmd) | CRD distribute time 2087.90 (15.30% of Runmd) | Other 227.89 ( 1.67% of Runmd) | Runmd Time 13645.07 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 63 | Build the list 865.94 (57.05% of List ) | Other 651.80 (42.95% of List ) | List time 1517.75 (22.63% of Nonbo) | Short_ene time 1277.44 (58.47% of Direc) | Other 907.49 (41.53% of Direc) | Direct Ewald time 2184.93 (42.11% of Ewald) | Adjust Ewald time 18.63 ( 0.36% of Ewald) | Fill Bspline coeffs 325.07 (15.81% of Recip) | Fill charge grid 64.65 ( 3.14% of Recip) | Scalar sum 73.24 ( 3.56% of Recip) | Grad sum 99.62 ( 4.84% of Recip) | FFT back comm time 1050.58 (75.56% of FFT t) | Other 339.82 (24.44% of FFT t) | FFT time 1390.40 (67.62% of Recip) | Other 103.29 ( 5.02% of Recip) | Recip Ewald time 2056.27 (39.63% of Ewald) | Force Adjust 473.20 ( 9.12% of Ewald) | Virial junk 454.27 ( 8.76% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.77 ( 0.01% of Ewald) | Ewald time 5188.69 (77.36% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6707.27 (75.97% of Force) | Bond/Angle/Dihedral 44.15 ( 0.50% of Force) | FRC Collect time 1776.01 (20.12% of Force) | Other 301.06 ( 3.41% of Force) | Force time 8828.49 (64.70% of Runmd) | Shake time 109.13 ( 0.80% of Runmd) | Verlet update time 1081.81 ( 7.93% of Runmd) | Ekcmr time 1351.35 ( 9.90% of Runmd) | CRD distribute time 2054.52 (15.06% of Runmd) | Other 219.78 ( 1.61% of Runmd) | Runmd Time 13645.08 (100.0% of Total) | Other 1.54 ( 0.01% of Total) | Total time 13646.62 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 863.68 ( 854.86 876.21 4.38) | Other 652.18 ( 624.63 676.22 10.31) | List time 1515.86 ( 1496.02 1536.14 7.75) | Short_ene time 1452.68 ( 1277.44 1637.85 67.65) | Other 932.40 ( 887.63 969.01 17.40) | Direct Ewald time 2385.09 ( 2184.93 2555.87 61.66) | Adjust Ewald time 19.17 ( 17.83 20.76 0.95) | Fill Bspline coeffs 344.56 ( 318.51 378.39 19.30) | Fill charge grid 80.07 ( 56.16 111.81 19.20) | Scalar sum 103.13 ( 73.16 146.84 35.79) | Grad sum 121.54 ( 99.02 156.49 23.99) | FFT back comm time 1052.00 ( 1033.73 1061.77 5.95) | Other 287.18 ( 191.41 357.05 63.12) | FFT time 1339.18 ( 1247.34 1409.43 61.85) | Other 65.98 ( 10.98 111.05 36.47) | Recip Ewald time 2054.46 ( 2037.45 2084.94 9.63) | Force Adjust 278.78 ( 105.58 473.20 64.06) | Virial junk 452.96 ( 438.76 467.46 6.59) | Start sycnronization 0.47 ( 0.36 0.64 0.06) | Other 0.86 ( 0.69 1.66 0.27) | Ewald time 5192.01 ( 5169.68 5226.97 10.83) | Other 0.76 ( 0.61 1.14 0.11) | Nonbond force 6708.77 ( 6679.03 6730.83 9.81) | Bond/Angle/Dihedral 32.97 ( 30.22 44.15 2.30) | FRC Collect time 1874.50 ( 1775.69 2204.83 114.11) | Other 312.26 ( 292.26 339.92 8.46) | Force time 8928.50 ( 8826.94 9258.82 113.91) | Shake time 107.02 ( 78.46 133.58 7.06) | Verlet update time 1013.78 ( 735.11 1324.46 128.20) | Ekcmr time 1603.78 ( 1101.27 2466.71 359.03) | CRD distribute time 1710.93 ( 1121.29 2087.90 271.10) | Other 281.12 ( 186.55 417.42 56.28) | Runmd Time 13645.12 ( 13645.07 13648.00 0.36) | Other 1.53 ( 1.42 1.54 0.01) | Total time 13646.66 ( 13646.60 13649.52 0.36)