|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 2886.58 (84.84% of List ) | Other 515.84 (15.16% of List ) | List time 3402.42 (22.22% of Nonbo) | Short_ene time 5954.39 (84.58% of Direc) | Other 1085.47 (15.42% of Direc) | Direct Ewald time 7039.86 (59.11% of Ewald) | Adjust Ewald time 73.81 ( 0.62% of Ewald) | Self Ewald time 2.08 ( 0.02% of Ewald) | Fill Bspline coeffs 441.23 (11.20% of Recip) | Fill charge grid 267.46 ( 6.79% of Recip) | Scalar sum 538.34 (13.67% of Recip) | Grad sum 391.69 ( 9.95% of Recip) | FFT back comm time 1478.53 (66.91% of FFT t) | Other 731.16 (33.09% of FFT t) | FFT time 2209.69 (56.11% of Recip) | Other 89.81 ( 2.28% of Recip) | Recip Ewald time 3938.23 (33.07% of Ewald) | Force Adjust 414.58 ( 3.48% of Ewald) | Virial junk 436.56 ( 3.67% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.98 ( 0.03% of Ewald) | Ewald time 11909.77 (77.76% of Nonbo) | Other 2.42 ( 0.02% of Nonbo) | Nonbond force 15315.11 (81.24% of Force) | Bond/Angle/Dihedral 111.77 ( 0.59% of Force) | FRC Collect time 3060.75 (16.24% of Force) | Other 365.00 ( 1.94% of Force) | Force time 18852.63 (77.02% of Runmd) | Shake time 419.46 ( 1.71% of Runmd) | Verlet update time 1309.46 ( 5.35% of Runmd) | Ekcmr time 1137.18 ( 4.65% of Runmd) | CRD distribute time 2324.01 ( 9.49% of Runmd) | Other 435.24 ( 1.78% of Runmd) | Runmd Time 24477.98 (100.0% of Total) | Total time 24479.22 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 2898.37 (85.14% of List ) | Other 505.69 (14.86% of List ) | List time 3404.07 (22.19% of Nonbo) | Short_ene time 5634.66 (83.35% of Direc) | Other 1125.82 (16.65% of Direc) | Direct Ewald time 6760.48 (56.65% of Ewald) | Adjust Ewald time 78.59 ( 0.66% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 427.35 (10.77% of Recip) | Fill charge grid 256.38 ( 6.46% of Recip) | Scalar sum 538.87 (13.58% of Recip) | Grad sum 375.81 ( 9.47% of Recip) | FFT back comm time 1468.64 (65.05% of FFT t) | Other 789.19 (34.95% of FFT t) | FFT time 2257.83 (56.88% of Recip) | Other 113.26 ( 2.85% of Recip) | Recip Ewald time 3969.50 (33.27% of Ewald) | Force Adjust 676.74 ( 5.67% of Ewald) | Virial junk 442.09 ( 3.70% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 3.96 ( 0.03% of Ewald) | Ewald time 11932.92 (77.79% of Nonbo) | Other 2.38 ( 0.02% of Nonbo) | Nonbond force 15339.84 (81.68% of Force) | Bond/Angle/Dihedral 111.32 ( 0.59% of Force) | FRC Collect time 2984.60 (15.89% of Force) | Other 343.54 ( 1.83% of Force) | Force time 18779.30 (76.72% of Runmd) | Shake time 119.02 ( 0.49% of Runmd) | Verlet update time 1370.63 ( 5.60% of Runmd) | Ekcmr time 1348.86 ( 5.51% of Runmd) | CRD distribute time 2434.32 ( 9.95% of Runmd) | Other 425.26 ( 1.74% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 2883.73 (84.42% of List ) | Other 532.21 (15.58% of List ) | List time 3415.94 (22.29% of Nonbo) | Short_ene time 5755.23 (83.04% of Direc) | Other 1175.03 (16.96% of Direc) | Direct Ewald time 6930.26 (58.21% of Ewald) | Adjust Ewald time 79.52 ( 0.67% of Ewald) | Self Ewald time 0.91 ( 0.01% of Ewald) | Fill Bspline coeffs 446.88 (11.32% of Recip) | Fill charge grid 257.63 ( 6.52% of Recip) | Scalar sum 538.73 (13.64% of Recip) | Grad sum 386.66 ( 9.79% of Recip) | FFT back comm time 1474.95 (66.44% of FFT t) | Other 745.18 (33.56% of FFT t) | FFT time 2220.13 (56.23% of Recip) | Other 98.49 ( 2.49% of Recip) | Recip Ewald time 3948.52 (33.16% of Ewald) | Force Adjust 509.28 ( 4.28% of Ewald) | Virial junk 433.34 ( 3.64% of Ewald) | Start sycnronization 0.71 ( 0.01% of Ewald) | Other 3.99 ( 0.03% of Ewald) | Ewald time 11906.53 (77.69% of Nonbo) | Other 2.40 ( 0.02% of Nonbo) | Nonbond force 15325.37 (81.99% of Force) | Bond/Angle/Dihedral 112.91 ( 0.60% of Force) | FRC Collect time 2898.60 (15.51% of Force) | Other 355.75 ( 1.90% of Force) | Force time 18692.63 (76.37% of Runmd) | Shake time 127.70 ( 0.52% of Runmd) | Verlet update time 1442.91 ( 5.89% of Runmd) | Ekcmr time 1321.44 ( 5.40% of Runmd) | CRD distribute time 2436.09 ( 9.95% of Runmd) | Other 456.63 ( 1.87% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 2896.91 (84.91% of List ) | Other 514.69 (15.09% of List ) | List time 3411.60 (22.24% of Nonbo) | Short_ene time 5895.17 (83.68% of Direc) | Other 1149.33 (16.32% of Direc) | Direct Ewald time 7044.50 (59.07% of Ewald) | Adjust Ewald time 77.54 ( 0.65% of Ewald) | Self Ewald time 0.90 ( 0.01% of Ewald) | Fill Bspline coeffs 441.43 (11.14% of Recip) | Fill charge grid 267.21 ( 6.74% of Recip) | Scalar sum 538.81 (13.59% of Recip) | Grad sum 389.64 ( 9.83% of Recip) | FFT back comm time 1478.34 (66.14% of FFT t) | Other 756.71 (33.86% of FFT t) | FFT time 2235.05 (56.39% of Recip) | Other 91.17 ( 2.30% of Recip) | Recip Ewald time 3963.31 (33.23% of Ewald) | Force Adjust 396.39 ( 3.32% of Ewald) | Virial junk 438.45 ( 3.68% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.96 ( 0.03% of Ewald) | Ewald time 11925.71 (77.74% of Nonbo) | Other 2.33 ( 0.02% of Nonbo) | Nonbond force 15340.12 (82.07% of Force) | Bond/Angle/Dihedral 112.60 ( 0.60% of Force) | FRC Collect time 2895.12 (15.49% of Force) | Other 343.37 ( 1.84% of Force) | Force time 18691.21 (76.36% of Runmd) | Shake time 127.59 ( 0.52% of Runmd) | Verlet update time 1453.32 ( 5.94% of Runmd) | Ekcmr time 1161.68 ( 4.75% of Runmd) | CRD distribute time 2609.55 (10.66% of Runmd) | Other 434.03 ( 1.77% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 2918.03 (86.25% of List ) | Other 465.02 (13.75% of List ) | List time 3383.05 (22.03% of Nonbo) | Short_ene time 5502.98 (83.64% of Direc) | Other 1076.59 (16.36% of Direc) | Direct Ewald time 6579.56 (54.97% of Ewald) | Adjust Ewald time 76.29 ( 0.64% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 421.80 (10.55% of Recip) | Fill charge grid 256.03 ( 6.40% of Recip) | Scalar sum 538.49 (13.46% of Recip) | Grad sum 374.56 ( 9.37% of Recip) | FFT back comm time 1480.58 (64.31% of FFT t) | Other 821.79 (35.69% of FFT t) | FFT time 2302.36 (57.57% of Recip) | Other 106.14 ( 2.65% of Recip) | Recip Ewald time 3999.38 (33.41% of Ewald) | Force Adjust 864.72 ( 7.22% of Ewald) | Virial junk 444.58 ( 3.71% of Ewald) | Start sycnronization 0.65 ( 0.01% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 11969.90 (77.95% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 15355.69 (82.49% of Force) | Bond/Angle/Dihedral 111.63 ( 0.60% of Force) | FRC Collect time 2825.03 (15.18% of Force) | Other 323.37 ( 1.74% of Force) | Force time 18615.72 (76.05% of Runmd) | Shake time 138.08 ( 0.56% of Runmd) | Verlet update time 1475.55 ( 6.03% of Runmd) | Ekcmr time 1196.16 ( 4.89% of Runmd) | CRD distribute time 2653.95 (10.84% of Runmd) | Other 397.93 ( 1.63% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 2898.20 (85.42% of List ) | Other 494.87 (14.58% of List ) | List time 3393.06 (22.13% of Nonbo) | Short_ene time 5859.72 (83.82% of Direc) | Other 1130.88 (16.18% of Direc) | Direct Ewald time 6990.59 (58.55% of Ewald) | Adjust Ewald time 76.81 ( 0.64% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 438.59 (11.03% of Recip) | Fill charge grid 253.06 ( 6.36% of Recip) | Scalar sum 538.55 (13.54% of Recip) | Grad sum 373.89 ( 9.40% of Recip) | FFT back comm time 1471.38 (65.02% of FFT t) | Other 791.46 (34.98% of FFT t) | FFT time 2262.84 (56.90% of Recip) | Other 109.72 ( 2.76% of Recip) | Recip Ewald time 3976.65 (33.31% of Ewald) | Force Adjust 456.54 ( 3.82% of Ewald) | Virial junk 433.76 ( 3.63% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 3.83 ( 0.03% of Ewald) | Ewald time 11939.67 (77.86% of Nonbo) | Other 2.29 ( 0.01% of Nonbo) | Nonbond force 15335.50 (82.38% of Force) | Bond/Angle/Dihedral 111.95 ( 0.60% of Force) | FRC Collect time 2818.83 (15.14% of Force) | Other 348.77 ( 1.87% of Force) | Force time 18615.05 (76.05% of Runmd) | Shake time 142.17 ( 0.58% of Runmd) | Verlet update time 1519.07 ( 6.21% of Runmd) | Ekcmr time 935.63 ( 3.82% of Runmd) | CRD distribute time 2839.20 (11.60% of Runmd) | Other 426.27 ( 1.74% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 2901.58 (85.39% of List ) | Other 496.47 (14.61% of List ) | List time 3398.05 (22.16% of Nonbo) | Short_ene time 5850.44 (83.56% of Direc) | Other 1150.93 (16.44% of Direc) | Direct Ewald time 7001.38 (58.66% of Ewald) | Adjust Ewald time 79.28 ( 0.66% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 440.56 (11.08% of Recip) | Fill charge grid 257.49 ( 6.47% of Recip) | Scalar sum 538.65 (13.54% of Recip) | Grad sum 377.62 ( 9.50% of Recip) | FFT back comm time 1477.56 (65.45% of FFT t) | Other 779.94 (34.55% of FFT t) | FFT time 2257.50 (56.76% of Recip) | Other 105.10 ( 2.64% of Recip) | Recip Ewald time 3976.92 (33.32% of Ewald) | Force Adjust 438.04 ( 3.67% of Ewald) | Virial junk 434.32 ( 3.64% of Ewald) | Start sycnronization 0.65 ( 0.01% of Ewald) | Other 3.84 ( 0.03% of Ewald) | Ewald time 11935.30 (77.82% of Nonbo) | Other 2.32 ( 0.02% of Nonbo) | Nonbond force 15336.14 (82.38% of Force) | Bond/Angle/Dihedral 113.67 ( 0.61% of Force) | FRC Collect time 2820.42 (15.15% of Force) | Other 345.93 ( 1.86% of Force) | Force time 18616.17 (76.05% of Runmd) | Shake time 138.50 ( 0.57% of Runmd) | Verlet update time 1513.95 ( 6.19% of Runmd) | Ekcmr time 996.30 ( 4.07% of Runmd) | CRD distribute time 2765.83 (11.30% of Runmd) | Other 446.63 ( 1.82% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 2916.11 (85.87% of List ) | Other 479.88 (14.13% of List ) | List time 3395.99 (22.12% of Nonbo) | Short_ene time 5607.29 (83.65% of Direc) | Other 1095.69 (16.35% of Direc) | Direct Ewald time 6702.98 (56.06% of Ewald) | Adjust Ewald time 76.51 ( 0.64% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 429.32 (10.74% of Recip) | Fill charge grid 259.00 ( 6.48% of Recip) | Scalar sum 539.81 (13.50% of Recip) | Grad sum 373.15 ( 9.33% of Recip) | FFT back comm time 1476.32 (64.51% of FFT t) | Other 812.17 (35.49% of FFT t) | FFT time 2288.49 (57.24% of Recip) | Other 108.25 ( 2.71% of Recip) | Recip Ewald time 3998.02 (33.44% of Ewald) | Force Adjust 732.28 ( 6.12% of Ewald) | Virial junk 442.02 ( 3.70% of Ewald) | Start sycnronization 0.65 ( 0.01% of Ewald) | Other 3.83 ( 0.03% of Ewald) | Ewald time 11957.14 (77.87% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 15355.85 (82.50% of Force) | Bond/Angle/Dihedral 111.54 ( 0.60% of Force) | FRC Collect time 2821.90 (15.16% of Force) | Other 324.83 ( 1.75% of Force) | Force time 18614.12 (76.05% of Runmd) | Shake time 137.47 ( 0.56% of Runmd) | Verlet update time 1524.97 ( 6.23% of Runmd) | Ekcmr time 808.24 ( 3.30% of Runmd) | CRD distribute time 2985.05 (12.20% of Runmd) | Other 407.54 ( 1.66% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 2912.63 (85.93% of List ) | Other 477.00 (14.07% of List ) | List time 3389.63 (22.08% of Nonbo) | Short_ene time 5734.00 (84.33% of Direc) | Other 1065.77 (15.67% of Direc) | Direct Ewald time 6799.77 (56.86% of Ewald) | Adjust Ewald time 74.96 ( 0.63% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 424.63 (10.66% of Recip) | Fill charge grid 255.06 ( 6.40% of Recip) | Scalar sum 538.74 (13.52% of Recip) | Grad sum 371.11 ( 9.32% of Recip) | FFT back comm time 1487.08 (64.96% of FFT t) | Other 802.05 (35.04% of FFT t) | FFT time 2289.13 (57.46% of Recip) | Other 104.96 ( 2.63% of Recip) | Recip Ewald time 3983.65 (33.31% of Ewald) | Force Adjust 656.17 ( 5.49% of Ewald) | Virial junk 437.93 ( 3.66% of Ewald) | Start sycnronization 0.67 ( 0.01% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 11957.84 (77.90% of Nonbo) | Other 2.21 ( 0.01% of Nonbo) | Nonbond force 15350.14 (83.11% of Force) | Bond/Angle/Dihedral 111.91 ( 0.61% of Force) | FRC Collect time 2684.45 (14.53% of Force) | Other 324.10 ( 1.75% of Force) | Force time 18470.59 (75.46% of Runmd) | Shake time 137.90 ( 0.56% of Runmd) | Verlet update time 1626.93 ( 6.65% of Runmd) | Ekcmr time 1681.61 ( 6.87% of Runmd) | CRD distribute time 2153.08 ( 8.80% of Runmd) | Other 407.27 ( 1.66% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 2899.65 (85.51% of List ) | Other 491.22 (14.49% of List ) | List time 3390.87 (22.11% of Nonbo) | Short_ene time 5750.12 (83.26% of Direc) | Other 1155.79 (16.74% of Direc) | Direct Ewald time 6905.91 (57.84% of Ewald) | Adjust Ewald time 78.36 ( 0.66% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 448.39 (11.28% of Recip) | Fill charge grid 260.88 ( 6.56% of Recip) | Scalar sum 538.66 (13.55% of Recip) | Grad sum 383.23 ( 9.64% of Recip) | FFT back comm time 1476.00 (65.81% of FFT t) | Other 766.98 (34.19% of FFT t) | FFT time 2242.98 (56.43% of Recip) | Other 100.88 ( 2.54% of Recip) | Recip Ewald time 3975.02 (33.29% of Ewald) | Force Adjust 541.70 ( 4.54% of Ewald) | Virial junk 433.76 ( 3.63% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 3.83 ( 0.03% of Ewald) | Ewald time 11940.04 (77.87% of Nonbo) | Other 2.22 ( 0.01% of Nonbo) | Nonbond force 15333.60 (83.02% of Force) | Bond/Angle/Dihedral 113.71 ( 0.62% of Force) | FRC Collect time 2680.04 (14.51% of Force) | Other 342.07 ( 1.85% of Force) | Force time 18469.41 (75.45% of Runmd) | Shake time 139.68 ( 0.57% of Runmd) | Verlet update time 1674.35 ( 6.84% of Runmd) | Ekcmr time 1491.80 ( 6.09% of Runmd) | CRD distribute time 2266.24 ( 9.26% of Runmd) | Other 435.91 ( 1.78% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 2921.11 (86.30% of List ) | Other 463.77 (13.70% of List ) | List time 3384.87 (22.04% of Nonbo) | Short_ene time 5545.88 (83.62% of Direc) | Other 1086.07 (16.38% of Direc) | Direct Ewald time 6631.95 (55.42% of Ewald) | Adjust Ewald time 75.34 ( 0.63% of Ewald) | Self Ewald time 0.83 ( 0.01% of Ewald) | Fill Bspline coeffs 430.87 (10.75% of Recip) | Fill charge grid 252.92 ( 6.31% of Recip) | Scalar sum 538.44 (13.43% of Recip) | Grad sum 368.09 ( 9.18% of Recip) | FFT back comm time 1480.40 (64.29% of FFT t) | Other 822.36 (35.71% of FFT t) | FFT time 2302.76 (57.45% of Recip) | Other 114.87 ( 2.87% of Recip) | Recip Ewald time 4007.95 (33.49% of Ewald) | Force Adjust 808.65 ( 6.76% of Ewald) | Virial junk 437.84 ( 3.66% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 3.75 ( 0.03% of Ewald) | Ewald time 11966.94 (77.94% of Nonbo) | Other 2.19 ( 0.01% of Nonbo) | Nonbond force 15354.45 (83.13% of Force) | Bond/Angle/Dihedral 112.33 ( 0.61% of Force) | FRC Collect time 2679.75 (14.51% of Force) | Other 324.05 ( 1.75% of Force) | Force time 18470.58 (75.46% of Runmd) | Shake time 135.16 ( 0.55% of Runmd) | Verlet update time 1638.76 ( 6.69% of Runmd) | Ekcmr time 1580.10 ( 6.46% of Runmd) | CRD distribute time 2241.56 ( 9.16% of Runmd) | Other 411.23 ( 1.68% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 2894.59 (85.29% of List ) | Other 499.32 (14.71% of List ) | List time 3393.91 (22.15% of Nonbo) | Short_ene time 5739.44 (83.21% of Direc) | Other 1158.14 (16.79% of Direc) | Direct Ewald time 6897.58 (57.82% of Ewald) | Adjust Ewald time 78.63 ( 0.66% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 457.93 (11.55% of Recip) | Fill charge grid 266.97 ( 6.73% of Recip) | Scalar sum 538.51 (13.58% of Recip) | Grad sum 394.72 ( 9.96% of Recip) | FFT back comm time 1485.27 (66.77% of FFT t) | Other 739.32 (33.23% of FFT t) | FFT time 2224.60 (56.12% of Recip) | Other 81.34 ( 2.05% of Recip) | Recip Ewald time 3964.08 (33.23% of Ewald) | Force Adjust 553.49 ( 4.64% of Ewald) | Virial junk 429.39 ( 3.60% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.81 ( 0.03% of Ewald) | Ewald time 11928.47 (77.84% of Nonbo) | Other 2.24 ( 0.01% of Nonbo) | Nonbond force 15325.08 (82.98% of Force) | Bond/Angle/Dihedral 114.35 ( 0.62% of Force) | FRC Collect time 2676.20 (14.49% of Force) | Other 353.20 ( 1.91% of Force) | Force time 18468.83 (75.45% of Runmd) | Shake time 142.07 ( 0.58% of Runmd) | Verlet update time 1698.68 ( 6.94% of Runmd) | Ekcmr time 1287.12 ( 5.26% of Runmd) | CRD distribute time 2431.83 ( 9.94% of Runmd) | Other 448.86 ( 1.83% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 2906.18 (85.80% of List ) | Other 480.99 (14.20% of List ) | List time 3387.16 (22.08% of Nonbo) | Short_ene time 5544.06 (83.20% of Direc) | Other 1119.29 (16.80% of Direc) | Direct Ewald time 6663.35 (55.76% of Ewald) | Adjust Ewald time 77.97 ( 0.65% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 445.91 (11.21% of Recip) | Fill charge grid 258.60 ( 6.50% of Recip) | Scalar sum 539.13 (13.55% of Recip) | Grad sum 379.67 ( 9.54% of Recip) | FFT back comm time 1485.40 (65.80% of FFT t) | Other 771.89 (34.20% of FFT t) | FFT time 2257.29 (56.74% of Recip) | Other 97.94 ( 2.46% of Recip) | Recip Ewald time 3978.54 (33.29% of Ewald) | Force Adjust 791.21 ( 6.62% of Ewald) | Virial junk 434.52 ( 3.64% of Ewald) | Start sycnronization 0.65 ( 0.01% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 11950.95 (77.90% of Nonbo) | Other 2.29 ( 0.01% of Nonbo) | Nonbond force 15340.87 (83.05% of Force) | Bond/Angle/Dihedral 113.16 ( 0.61% of Force) | FRC Collect time 2685.04 (14.54% of Force) | Other 332.38 ( 1.80% of Force) | Force time 18471.45 (75.46% of Runmd) | Shake time 138.78 ( 0.57% of Runmd) | Verlet update time 1639.89 ( 6.70% of Runmd) | Ekcmr time 1395.23 ( 5.70% of Runmd) | CRD distribute time 2419.32 ( 9.88% of Runmd) | Other 412.72 ( 1.69% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 2917.28 (86.28% of List ) | Other 464.04 (13.72% of List ) | List time 3381.32 (22.03% of Nonbo) | Short_ene time 5575.40 (83.55% of Direc) | Other 1098.10 (16.45% of Direc) | Direct Ewald time 6673.50 (55.76% of Ewald) | Adjust Ewald time 76.00 ( 0.64% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 428.32 (10.70% of Recip) | Fill charge grid 256.04 ( 6.40% of Recip) | Scalar sum 538.93 (13.46% of Recip) | Grad sum 373.58 ( 9.33% of Recip) | FFT back comm time 1472.53 (64.17% of FFT t) | Other 822.15 (35.83% of FFT t) | FFT time 2294.68 (57.32% of Recip) | Other 111.45 ( 2.78% of Recip) | Recip Ewald time 4003.00 (33.45% of Ewald) | Force Adjust 772.02 ( 6.45% of Ewald) | Virial junk 437.91 ( 3.66% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 3.93 ( 0.03% of Ewald) | Ewald time 11967.89 (77.96% of Nonbo) | Other 2.33 ( 0.02% of Nonbo) | Nonbond force 15352.02 (83.12% of Force) | Bond/Angle/Dihedral 112.93 ( 0.61% of Force) | FRC Collect time 2679.76 (14.51% of Force) | Other 324.36 ( 1.76% of Force) | Force time 18469.07 (75.45% of Runmd) | Shake time 136.82 ( 0.56% of Runmd) | Verlet update time 1653.23 ( 6.75% of Runmd) | Ekcmr time 1194.95 ( 4.88% of Runmd) | CRD distribute time 2600.06 (10.62% of Runmd) | Other 423.27 ( 1.73% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 2919.13 (86.23% of List ) | Other 466.04 (13.77% of List ) | List time 3385.17 (22.05% of Nonbo) | Short_ene time 5653.16 (83.96% of Direc) | Other 1079.99 (16.04% of Direc) | Direct Ewald time 6733.15 (56.28% of Ewald) | Adjust Ewald time 75.53 ( 0.63% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 430.64 (10.76% of Recip) | Fill charge grid 254.82 ( 6.36% of Recip) | Scalar sum 538.59 (13.45% of Recip) | Grad sum 373.07 ( 9.32% of Recip) | FFT back comm time 1476.08 (64.27% of FFT t) | Other 820.66 (35.73% of FFT t) | FFT time 2296.74 (57.37% of Recip) | Other 109.66 ( 2.74% of Recip) | Recip Ewald time 4003.52 (33.47% of Ewald) | Force Adjust 708.13 ( 5.92% of Ewald) | Virial junk 437.40 ( 3.66% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.79 ( 0.03% of Ewald) | Ewald time 11963.03 (77.93% of Nonbo) | Other 2.25 ( 0.01% of Nonbo) | Nonbond force 15350.92 (83.11% of Force) | Bond/Angle/Dihedral 113.07 ( 0.61% of Force) | FRC Collect time 2680.98 (14.51% of Force) | Other 325.51 ( 1.76% of Force) | Force time 18470.48 (75.46% of Runmd) | Shake time 137.58 ( 0.56% of Runmd) | Verlet update time 1634.49 ( 6.68% of Runmd) | Ekcmr time 1296.03 ( 5.29% of Runmd) | CRD distribute time 2537.98 (10.37% of Runmd) | Other 400.84 ( 1.64% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 2912.77 (86.04% of List ) | Other 472.51 (13.96% of List ) | List time 3385.29 (22.06% of Nonbo) | Short_ene time 5736.56 (83.65% of Direc) | Other 1121.50 (16.35% of Direc) | Direct Ewald time 6858.06 (57.35% of Ewald) | Adjust Ewald time 73.49 ( 0.61% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 440.94 (11.03% of Recip) | Fill charge grid 265.27 ( 6.64% of Recip) | Scalar sum 537.26 (13.44% of Recip) | Grad sum 390.23 ( 9.76% of Recip) | FFT back comm time 1473.19 (64.90% of FFT t) | Other 796.92 (35.10% of FFT t) | FFT time 2270.11 (56.78% of Recip) | Other 94.18 ( 2.36% of Recip) | Recip Ewald time 3998.00 (33.43% of Ewald) | Force Adjust 588.05 ( 4.92% of Ewald) | Virial junk 435.75 ( 3.64% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 3.86 ( 0.03% of Ewald) | Ewald time 11958.76 (77.92% of Nonbo) | Other 2.32 ( 0.02% of Nonbo) | Nonbond force 15346.85 (83.09% of Force) | Bond/Angle/Dihedral 113.73 ( 0.62% of Force) | FRC Collect time 2683.37 (14.53% of Force) | Other 325.32 ( 1.76% of Force) | Force time 18469.27 (75.45% of Runmd) | Shake time 137.90 ( 0.56% of Runmd) | Verlet update time 1684.13 ( 6.88% of Runmd) | Ekcmr time 1026.39 ( 4.19% of Runmd) | CRD distribute time 2736.20 (11.18% of Runmd) | Other 423.51 ( 1.73% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 2939.88 (87.20% of List ) | Other 431.46 (12.80% of List ) | List time 3371.34 (21.92% of Nonbo) | Short_ene time 5452.45 (84.37% of Direc) | Other 1010.23 (15.63% of Direc) | Direct Ewald time 6462.68 (53.82% of Ewald) | Adjust Ewald time 63.56 ( 0.53% of Ewald) | Self Ewald time 0.82 ( 0.01% of Ewald) | Fill Bspline coeffs 405.90 (10.06% of Recip) | Fill charge grid 250.79 ( 6.22% of Recip) | Scalar sum 536.66 (13.31% of Recip) | Grad sum 354.34 ( 8.79% of Recip) | FFT back comm time 1474.22 (62.57% of FFT t) | Other 882.00 (37.43% of FFT t) | FFT time 2356.22 (58.42% of Recip) | Other 129.27 ( 3.21% of Recip) | Recip Ewald time 4033.18 (33.59% of Ewald) | Force Adjust 997.14 ( 8.30% of Ewald) | Virial junk 446.57 ( 3.72% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 3.69 ( 0.03% of Ewald) | Ewald time 12008.29 (78.07% of Nonbo) | Other 2.14 ( 0.01% of Nonbo) | Nonbond force 15382.21 (83.83% of Force) | Bond/Angle/Dihedral 110.47 ( 0.60% of Force) | FRC Collect time 2562.03 (13.96% of Force) | Other 293.70 ( 1.60% of Force) | Force time 18348.41 (74.96% of Runmd) | Shake time 133.52 ( 0.55% of Runmd) | Verlet update time 1733.75 ( 7.08% of Runmd) | Ekcmr time 1578.14 ( 6.45% of Runmd) | CRD distribute time 2314.17 ( 9.45% of Runmd) | Other 369.41 ( 1.51% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 2919.15 (86.66% of List ) | Other 449.48 (13.34% of List ) | List time 3368.63 (21.94% of Nonbo) | Short_ene time 5640.67 (83.84% of Direc) | Other 1087.25 (16.16% of Direc) | Direct Ewald time 6727.92 (56.16% of Ewald) | Adjust Ewald time 64.04 ( 0.53% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 428.73 (10.68% of Recip) | Fill charge grid 255.64 ( 6.37% of Recip) | Scalar sum 536.74 (13.37% of Recip) | Grad sum 373.48 ( 9.31% of Recip) | FFT back comm time 1465.09 (63.62% of FFT t) | Other 837.63 (36.38% of FFT t) | FFT time 2302.71 (57.38% of Recip) | Other 115.84 ( 2.89% of Recip) | Recip Ewald time 4013.16 (33.50% of Ewald) | Force Adjust 732.29 ( 6.11% of Ewald) | Virial junk 437.79 ( 3.65% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 3.81 ( 0.03% of Ewald) | Ewald time 11980.50 (78.04% of Nonbo) | Other 2.24 ( 0.01% of Nonbo) | Nonbond force 15351.83 (83.67% of Force) | Bond/Angle/Dihedral 113.03 ( 0.62% of Force) | FRC Collect time 2558.57 (13.94% of Force) | Other 324.57 ( 1.77% of Force) | Force time 18348.01 (74.96% of Runmd) | Shake time 135.13 ( 0.55% of Runmd) | Verlet update time 1790.50 ( 7.31% of Runmd) | Ekcmr time 1367.01 ( 5.58% of Runmd) | CRD distribute time 2437.26 ( 9.96% of Runmd) | Other 399.49 ( 1.63% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 2939.69 (87.32% of List ) | Other 427.02 (12.68% of List ) | List time 3366.72 (21.90% of Nonbo) | Short_ene time 5477.73 (84.09% of Direc) | Other 1036.32 (15.91% of Direc) | Direct Ewald time 6514.05 (54.27% of Ewald) | Adjust Ewald time 63.76 ( 0.53% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 406.85 (10.07% of Recip) | Fill charge grid 247.80 ( 6.13% of Recip) | Scalar sum 536.74 (13.28% of Recip) | Grad sum 361.69 ( 8.95% of Recip) | FFT back comm time 1471.60 (62.33% of FFT t) | Other 889.46 (37.67% of FFT t) | FFT time 2361.06 (58.41% of Recip) | Other 127.78 ( 3.16% of Recip) | Recip Ewald time 4041.93 (33.67% of Ewald) | Force Adjust 935.75 ( 7.80% of Ewald) | Virial junk 443.24 ( 3.69% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 12004.05 (78.08% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 15373.49 (83.79% of Force) | Bond/Angle/Dihedral 111.82 ( 0.61% of Force) | FRC Collect time 2557.50 (13.94% of Force) | Other 305.19 ( 1.66% of Force) | Force time 18348.00 (74.96% of Runmd) | Shake time 130.33 ( 0.53% of Runmd) | Verlet update time 1760.91 ( 7.19% of Runmd) | Ekcmr time 1430.28 ( 5.84% of Runmd) | CRD distribute time 2432.11 ( 9.94% of Runmd) | Other 375.77 ( 1.54% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 2911.29 (86.16% of List ) | Other 467.47 (13.84% of List ) | List time 3378.75 (22.02% of Nonbo) | Short_ene time 5584.19 (82.95% of Direc) | Other 1147.67 (17.05% of Direc) | Direct Ewald time 6731.86 (56.27% of Ewald) | Adjust Ewald time 64.47 ( 0.54% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 445.16 (11.15% of Recip) | Fill charge grid 265.57 ( 6.65% of Recip) | Scalar sum 537.03 (13.45% of Recip) | Grad sum 392.92 ( 9.84% of Recip) | FFT back comm time 1481.43 (65.37% of FFT t) | Other 784.83 (34.63% of FFT t) | FFT time 2266.26 (56.74% of Recip) | Other 87.08 ( 2.18% of Recip) | Recip Ewald time 3994.03 (33.39% of Ewald) | Force Adjust 737.45 ( 6.16% of Ewald) | Virial junk 429.76 ( 3.59% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 3.80 ( 0.03% of Ewald) | Ewald time 11962.86 (77.96% of Nonbo) | Other 2.30 ( 0.01% of Nonbo) | Nonbond force 15344.36 (83.63% of Force) | Bond/Angle/Dihedral 114.45 ( 0.62% of Force) | FRC Collect time 2555.63 (13.93% of Force) | Other 332.88 ( 1.81% of Force) | Force time 18347.32 (74.96% of Runmd) | Shake time 138.75 ( 0.57% of Runmd) | Verlet update time 1817.42 ( 7.42% of Runmd) | Ekcmr time 1150.82 ( 4.70% of Runmd) | CRD distribute time 2609.30 (10.66% of Runmd) | Other 413.77 ( 1.69% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 2939.29 (87.25% of List ) | Other 429.63 (12.75% of List ) | List time 3368.92 (21.91% of Nonbo) | Short_ene time 5370.25 (84.33% of Direc) | Other 997.89 (15.67% of Direc) | Direct Ewald time 6368.14 (53.05% of Ewald) | Adjust Ewald time 63.60 ( 0.53% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 401.70 ( 9.97% of Recip) | Fill charge grid 248.11 ( 6.16% of Recip) | Scalar sum 536.15 (13.30% of Recip) | Grad sum 356.46 ( 8.84% of Recip) | FFT back comm time 1466.85 (62.24% of FFT t) | Other 889.86 (37.76% of FFT t) | FFT time 2356.71 (58.47% of Recip) | Other 131.39 ( 3.26% of Recip) | Recip Ewald time 4030.53 (33.58% of Ewald) | Force Adjust 1091.25 ( 9.09% of Ewald) | Virial junk 445.69 ( 3.71% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 3.79 ( 0.03% of Ewald) | Ewald time 12004.46 (78.07% of Nonbo) | Other 2.18 ( 0.01% of Nonbo) | Nonbond force 15376.03 (83.80% of Force) | Bond/Angle/Dihedral 110.45 ( 0.60% of Force) | FRC Collect time 2565.19 (13.98% of Force) | Other 296.24 ( 1.61% of Force) | Force time 18347.91 (74.96% of Runmd) | Shake time 133.51 ( 0.55% of Runmd) | Verlet update time 1720.62 ( 7.03% of Runmd) | Ekcmr time 1253.97 ( 5.12% of Runmd) | CRD distribute time 2653.55 (10.84% of Runmd) | Other 367.82 ( 1.50% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 2931.48 (87.09% of List ) | Other 434.52 (12.91% of List ) | List time 3365.99 (21.90% of Nonbo) | Short_ene time 5506.23 (83.99% of Direc) | Other 1049.54 (16.01% of Direc) | Direct Ewald time 6555.76 (54.64% of Ewald) | Adjust Ewald time 63.94 ( 0.53% of Ewald) | Self Ewald time 0.89 ( 0.01% of Ewald) | Fill Bspline coeffs 410.92 (10.19% of Recip) | Fill charge grid 250.07 ( 6.20% of Recip) | Scalar sum 537.56 (13.33% of Recip) | Grad sum 370.81 ( 9.20% of Recip) | FFT back comm time 1457.76 (62.21% of FFT t) | Other 885.49 (37.79% of FFT t) | FFT time 2343.25 (58.12% of Recip) | Other 119.35 ( 2.96% of Recip) | Recip Ewald time 4031.95 (33.60% of Ewald) | Force Adjust 901.83 ( 7.52% of Ewald) | Virial junk 439.77 ( 3.67% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 11998.65 (78.08% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 15367.39 (83.75% of Force) | Bond/Angle/Dihedral 112.74 ( 0.61% of Force) | FRC Collect time 2560.79 (13.96% of Force) | Other 307.23 ( 1.67% of Force) | Force time 18348.15 (74.96% of Runmd) | Shake time 132.17 ( 0.54% of Runmd) | Verlet update time 1761.15 ( 7.19% of Runmd) | Ekcmr time 1018.34 ( 4.16% of Runmd) | CRD distribute time 2841.40 (11.61% of Runmd) | Other 376.19 ( 1.54% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 2924.55 (86.76% of List ) | Other 446.36 (13.24% of List ) | List time 3370.91 (21.95% of Nonbo) | Short_ene time 5549.21 (83.68% of Direc) | Other 1082.13 (16.32% of Direc) | Direct Ewald time 6631.35 (55.35% of Ewald) | Adjust Ewald time 64.12 ( 0.54% of Ewald) | Self Ewald time 0.89 ( 0.01% of Ewald) | Fill Bspline coeffs 415.53 (10.34% of Recip) | Fill charge grid 255.96 ( 6.37% of Recip) | Scalar sum 537.45 (13.37% of Recip) | Grad sum 372.07 ( 9.26% of Recip) | FFT back comm time 1461.59 (62.94% of FFT t) | Other 860.46 (37.06% of FFT t) | FFT time 2322.05 (57.77% of Recip) | Other 116.34 ( 2.89% of Recip) | Recip Ewald time 4019.39 (33.55% of Ewald) | Force Adjust 822.78 ( 6.87% of Ewald) | Virial junk 438.42 ( 3.66% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.87 ( 0.03% of Ewald) | Ewald time 11981.48 (78.03% of Nonbo) | Other 2.28 ( 0.01% of Nonbo) | Nonbond force 15355.14 (83.69% of Force) | Bond/Angle/Dihedral 113.87 ( 0.62% of Force) | FRC Collect time 2560.76 (13.96% of Force) | Other 317.62 ( 1.73% of Force) | Force time 18347.40 (74.96% of Runmd) | Shake time 134.04 ( 0.55% of Runmd) | Verlet update time 1761.91 ( 7.20% of Runmd) | Ekcmr time 1068.14 ( 4.36% of Runmd) | CRD distribute time 2770.13 (11.32% of Runmd) | Other 395.78 ( 1.62% of Runmd) | Runmd Time 24477.40 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.64 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 2912.79 (86.21% of List ) | Other 465.76 (13.79% of List ) | List time 3378.55 (22.02% of Nonbo) | Short_ene time 5525.57 (82.98% of Direc) | Other 1133.50 (17.02% of Direc) | Direct Ewald time 6659.07 (55.67% of Ewald) | Adjust Ewald time 64.39 ( 0.54% of Ewald) | Self Ewald time 0.89 ( 0.01% of Ewald) | Fill Bspline coeffs 433.71 (10.85% of Recip) | Fill charge grid 263.58 ( 6.59% of Recip) | Scalar sum 537.04 (13.43% of Recip) | Grad sum 388.21 ( 9.71% of Recip) | FFT back comm time 1461.39 (64.28% of FFT t) | Other 811.91 (35.72% of FFT t) | FFT time 2273.30 (56.85% of Recip) | Other 102.77 ( 2.57% of Recip) | Recip Ewald time 3998.62 (33.43% of Ewald) | Force Adjust 804.21 ( 6.72% of Ewald) | Virial junk 430.46 ( 3.60% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 3.88 ( 0.03% of Ewald) | Ewald time 11962.18 (77.96% of Nonbo) | Other 2.30 ( 0.01% of Nonbo) | Nonbond force 15343.51 (83.63% of Force) | Bond/Angle/Dihedral 115.04 ( 0.63% of Force) | FRC Collect time 2559.61 (13.95% of Force) | Other 329.47 ( 1.80% of Force) | Force time 18347.62 (74.96% of Runmd) | Shake time 138.49 ( 0.57% of Runmd) | Verlet update time 1811.67 ( 7.40% of Runmd) | Ekcmr time 778.35 ( 3.18% of Runmd) | CRD distribute time 2985.06 (12.20% of Runmd) | Other 416.22 ( 1.70% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.64 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 2937.57 (87.17% of List ) | Other 432.51 (12.83% of List ) | List time 3370.09 (21.92% of Nonbo) | Short_ene time 5706.40 (85.04% of Direc) | Other 1003.88 (14.96% of Direc) | Direct Ewald time 6710.28 (55.89% of Ewald) | Adjust Ewald time 63.73 ( 0.53% of Ewald) | Self Ewald time 0.81 ( 0.01% of Ewald) | Fill Bspline coeffs 390.79 ( 9.70% of Recip) | Fill charge grid 241.80 ( 6.00% of Recip) | Scalar sum 537.68 (13.35% of Recip) | Grad sum 348.18 ( 8.64% of Recip) | FFT back comm time 1457.29 (61.62% of FFT t) | Other 907.50 (38.38% of FFT t) | FFT time 2364.79 (58.71% of Recip) | Other 145.01 ( 3.60% of Recip) | Recip Ewald time 4028.25 (33.55% of Ewald) | Force Adjust 749.35 ( 6.24% of Ewald) | Virial junk 448.57 ( 3.74% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 3.70 ( 0.03% of Ewald) | Ewald time 12005.29 (78.07% of Nonbo) | Other 2.10 ( 0.01% of Nonbo) | Nonbond force 15377.90 (83.81% of Force) | Bond/Angle/Dihedral 110.09 ( 0.60% of Force) | FRC Collect time 2566.81 (13.99% of Force) | Other 294.50 ( 1.60% of Force) | Force time 18349.30 (74.96% of Runmd) | Shake time 133.56 ( 0.55% of Runmd) | Verlet update time 1718.85 ( 7.02% of Runmd) | Ekcmr time 1750.33 ( 7.15% of Runmd) | CRD distribute time 2151.74 ( 8.79% of Runmd) | Other 373.61 ( 1.53% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 2916.11 (86.54% of List ) | Other 453.69 (13.46% of List ) | List time 3369.80 (21.95% of Nonbo) | Short_ene time 5554.58 (83.43% of Direc) | Other 1103.53 (16.57% of Direc) | Direct Ewald time 6658.12 (55.58% of Ewald) | Adjust Ewald time 63.93 ( 0.53% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 403.09 (10.05% of Recip) | Fill charge grid 244.44 ( 6.10% of Recip) | Scalar sum 536.08 (13.37% of Recip) | Grad sum 364.86 ( 9.10% of Recip) | FFT back comm time 1445.26 (62.12% of FFT t) | Other 881.16 (37.88% of FFT t) | FFT time 2326.42 (58.02% of Recip) | Other 134.85 ( 3.36% of Recip) | Recip Ewald time 4009.74 (33.47% of Ewald) | Force Adjust 800.79 ( 6.69% of Ewald) | Virial junk 440.55 ( 3.68% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 3.80 ( 0.03% of Ewald) | Ewald time 11978.42 (78.03% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 15350.93 (83.66% of Force) | Bond/Angle/Dihedral 113.39 ( 0.62% of Force) | FRC Collect time 2561.71 (13.96% of Force) | Other 322.80 ( 1.76% of Force) | Force time 18348.83 (74.96% of Runmd) | Shake time 135.98 ( 0.56% of Runmd) | Verlet update time 1781.20 ( 7.28% of Runmd) | Ekcmr time 1550.65 ( 6.34% of Runmd) | CRD distribute time 2262.55 ( 9.24% of Runmd) | Other 398.17 ( 1.63% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 2951.54 (87.97% of List ) | Other 403.75 (12.03% of List ) | List time 3355.29 (21.81% of Nonbo) | Short_ene time 5611.88 (85.17% of Direc) | Other 976.80 (14.83% of Direc) | Direct Ewald time 6588.69 (54.80% of Ewald) | Adjust Ewald time 63.53 ( 0.53% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 348.32 ( 8.58% of Recip) | Fill charge grid 169.71 ( 4.18% of Recip) | Scalar sum 359.00 ( 8.84% of Recip) | Grad sum 259.41 ( 6.39% of Recip) | FFT back comm time 1449.79 (55.21% of FFT t) | Other 1176.05 (44.79% of FFT t) | FFT time 2625.84 (64.66% of Recip) | Other 298.63 ( 7.35% of Recip) | Recip Ewald time 4060.90 (33.77% of Ewald) | Force Adjust 857.14 ( 7.13% of Ewald) | Virial junk 448.44 ( 3.73% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 3.92 ( 0.03% of Ewald) | Ewald time 12024.18 (78.17% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 15382.22 (83.83% of Force) | Bond/Angle/Dihedral 112.41 ( 0.61% of Force) | FRC Collect time 2561.48 (13.96% of Force) | Other 293.50 ( 1.60% of Force) | Force time 18349.61 (74.97% of Runmd) | Shake time 129.63 ( 0.53% of Runmd) | Verlet update time 1735.15 ( 7.09% of Runmd) | Ekcmr time 1673.74 ( 6.84% of Runmd) | CRD distribute time 2238.22 ( 9.14% of Runmd) | Other 351.04 ( 1.43% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 2920.80 (86.52% of List ) | Other 454.98 (13.48% of List ) | List time 3375.77 (21.98% of Nonbo) | Short_ene time 5833.17 (84.14% of Direc) | Other 1099.43 (15.86% of Direc) | Direct Ewald time 6932.59 (57.88% of Ewald) | Adjust Ewald time 64.24 ( 0.54% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 380.96 ( 9.51% of Recip) | Fill charge grid 177.58 ( 4.43% of Recip) | Scalar sum 358.36 ( 8.94% of Recip) | Grad sum 277.44 ( 6.92% of Recip) | FFT back comm time 1460.82 (57.51% of FFT t) | Other 1079.22 (42.49% of FFT t) | FFT time 2540.03 (63.39% of Recip) | Other 272.58 ( 6.80% of Recip) | Recip Ewald time 4006.95 (33.46% of Ewald) | Force Adjust 527.60 ( 4.41% of Ewald) | Virial junk 440.17 ( 3.68% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 3.74 ( 0.03% of Ewald) | Ewald time 11976.73 (78.00% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 15355.22 (83.69% of Force) | Bond/Angle/Dihedral 113.21 ( 0.62% of Force) | FRC Collect time 2558.93 (13.95% of Force) | Other 320.60 ( 1.75% of Force) | Force time 18347.96 (74.96% of Runmd) | Shake time 137.20 ( 0.56% of Runmd) | Verlet update time 1799.97 ( 7.35% of Runmd) | Ekcmr time 1365.00 ( 5.58% of Runmd) | CRD distribute time 2427.96 ( 9.92% of Runmd) | Other 399.29 ( 1.63% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 2952.18 (88.08% of List ) | Other 399.63 (11.92% of List ) | List time 3351.80 (21.79% of Nonbo) | Short_ene time 5565.22 (85.27% of Direc) | Other 961.21 (14.73% of Direc) | Direct Ewald time 6526.44 (54.25% of Ewald) | Adjust Ewald time 63.52 ( 0.53% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 344.39 ( 8.49% of Recip) | Fill charge grid 170.88 ( 4.21% of Recip) | Scalar sum 358.94 ( 8.85% of Recip) | Grad sum 261.13 ( 6.44% of Recip) | FFT back comm time 1461.53 (55.57% of FFT t) | Other 1168.74 (44.43% of FFT t) | FFT time 2630.27 (64.86% of Recip) | Other 289.40 ( 7.14% of Recip) | Recip Ewald time 4055.02 (33.71% of Ewald) | Force Adjust 928.90 ( 7.72% of Ewald) | Virial junk 450.73 ( 3.75% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 3.86 ( 0.03% of Ewald) | Ewald time 12029.93 (78.20% of Nonbo) | Other 2.28 ( 0.01% of Nonbo) | Nonbond force 15384.49 (83.84% of Force) | Bond/Angle/Dihedral 111.07 ( 0.61% of Force) | FRC Collect time 2567.14 (13.99% of Force) | Other 286.83 ( 1.56% of Force) | Force time 18349.53 (74.97% of Runmd) | Shake time 126.04 ( 0.51% of Runmd) | Verlet update time 1714.43 ( 7.00% of Runmd) | Ekcmr time 1520.68 ( 6.21% of Runmd) | CRD distribute time 2418.17 ( 9.88% of Runmd) | Other 348.53 ( 1.42% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 2930.68 (86.90% of List ) | Other 441.86 (13.10% of List ) | List time 3372.54 (21.95% of Nonbo) | Short_ene time 5819.23 (85.02% of Direc) | Other 1025.26 (14.98% of Direc) | Direct Ewald time 6844.49 (57.08% of Ewald) | Adjust Ewald time 63.81 ( 0.53% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 354.22 ( 8.80% of Recip) | Fill charge grid 171.36 ( 4.26% of Recip) | Scalar sum 358.44 ( 8.91% of Recip) | Grad sum 268.79 ( 6.68% of Recip) | FFT back comm time 1455.77 (56.31% of FFT t) | Other 1129.69 (43.69% of FFT t) | FFT time 2585.47 (64.26% of Recip) | Other 285.03 ( 7.08% of Recip) | Recip Ewald time 4023.30 (33.55% of Ewald) | Force Adjust 611.67 ( 5.10% of Ewald) | Virial junk 443.53 ( 3.70% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 3.77 ( 0.03% of Ewald) | Ewald time 11992.06 (78.04% of Nonbo) | Other 2.15 ( 0.01% of Nonbo) | Nonbond force 15367.22 (83.76% of Force) | Bond/Angle/Dihedral 112.56 ( 0.61% of Force) | FRC Collect time 2561.87 (13.96% of Force) | Other 305.57 ( 1.67% of Force) | Force time 18347.22 (74.96% of Runmd) | Shake time 135.75 ( 0.55% of Runmd) | Verlet update time 1754.05 ( 7.17% of Runmd) | Ekcmr time 1238.86 ( 5.06% of Runmd) | CRD distribute time 2599.26 (10.62% of Runmd) | Other 402.25 ( 1.64% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 2897.24 (85.72% of List ) | Other 482.77 (14.28% of List ) | List time 3380.01 (22.06% of Nonbo) | Short_ene time 5826.63 (83.37% of Direc) | Other 1162.03 (16.63% of Direc) | Direct Ewald time 6988.66 (58.52% of Ewald) | Adjust Ewald time 64.75 ( 0.54% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 393.34 ( 9.89% of Recip) | Fill charge grid 180.82 ( 4.54% of Recip) | Scalar sum 359.14 ( 9.03% of Recip) | Grad sum 285.45 ( 7.17% of Recip) | FFT back comm time 1462.70 (58.64% of FFT t) | Other 1031.64 (41.36% of FFT t) | FFT time 2494.34 (62.69% of Recip) | Other 265.96 ( 6.68% of Recip) | Recip Ewald time 3979.06 (33.32% of Ewald) | Force Adjust 472.61 ( 3.96% of Ewald) | Virial junk 431.81 ( 3.62% of Ewald) | Start sycnronization 0.68 ( 0.01% of Ewald) | Other 3.86 ( 0.03% of Ewald) | Ewald time 11942.28 (77.93% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 15325.01 (83.53% of Force) | Bond/Angle/Dihedral 132.70 ( 0.72% of Force) | FRC Collect time 2560.11 (13.95% of Force) | Other 329.81 ( 1.80% of Force) | Force time 18347.63 (74.96% of Runmd) | Shake time 141.57 ( 0.58% of Runmd) | Verlet update time 1789.40 ( 7.31% of Runmd) | Ekcmr time 1227.74 ( 5.02% of Runmd) | CRD distribute time 2536.69 (10.36% of Runmd) | Other 434.36 ( 1.77% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 2916.75 (86.39% of List ) | Other 459.69 (13.61% of List ) | List time 3376.44 (22.00% of Nonbo) | Short_ene time 5295.35 (82.99% of Direc) | Other 1084.98 (17.01% of Direc) | Direct Ewald time 6380.33 (53.31% of Ewald) | Adjust Ewald time 64.37 ( 0.54% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 386.49 ( 9.66% of Recip) | Fill charge grid 177.09 ( 4.42% of Recip) | Scalar sum 358.87 ( 8.97% of Recip) | Grad sum 286.67 ( 7.16% of Recip) | FFT back comm time 1468.02 (57.96% of FFT t) | Other 1064.73 (42.04% of FFT t) | FFT time 2532.75 (63.28% of Recip) | Other 260.88 ( 6.52% of Recip) | Recip Ewald time 4002.74 (33.45% of Ewald) | Force Adjust 1076.71 ( 9.00% of Ewald) | Virial junk 438.35 ( 3.66% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 3.84 ( 0.03% of Ewald) | Ewald time 11967.86 (77.98% of Nonbo) | Other 2.18 ( 0.01% of Nonbo) | Nonbond force 15346.95 (83.65% of Force) | Bond/Angle/Dihedral 140.57 ( 0.77% of Force) | FRC Collect time 2559.24 (13.95% of Force) | Other 300.14 ( 1.64% of Force) | Force time 18346.89 (74.95% of Runmd) | Shake time 138.60 ( 0.57% of Runmd) | Verlet update time 1815.21 ( 7.42% of Runmd) | Ekcmr time 1010.62 ( 4.13% of Runmd) | CRD distribute time 2734.53 (11.17% of Runmd) | Other 431.54 ( 1.76% of Runmd) | Runmd Time 24477.39 (100.0% of Total) | Other 1.24 ( 0.01% of Total) | Total time 24478.63 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 2916.37 ( 2883.73 2952.18 17.36) | Other 465.63 ( 399.63 532.21 31.21) | List time 3382.00 ( 3351.80 3415.94 14.81) | Short_ene time 5645.54 ( 5295.35 5954.39 155.02) | Other 1088.63 ( 961.21 1175.03 55.99) | Direct Ewald time 6734.17 ( 6368.14 7044.50 185.60) | Adjust Ewald time 70.39 ( 63.52 79.52 6.53) | Self Ewald time 0.90 ( 0.81 2.08 0.21) | Fill Bspline coeffs 417.03 ( 344.39 457.93 29.22) | Fill charge grid 241.13 ( 169.71 267.46 32.60) | Scalar sum 504.39 ( 358.36 539.81 69.95) | Grad sum 356.21 ( 259.41 394.72 41.59) | FFT back comm time 1470.10 ( 1445.26 1487.08 10.33) | Other 870.32 ( 731.16 1176.05 125.13) | FFT time 2340.43 ( 2209.69 2630.27 118.44) | Other 141.23 ( 81.34 298.63 67.72) | Recip Ewald time 4000.41 ( 3938.23 4060.90 28.84) | Force Adjust 717.36 ( 396.39 1091.25 187.93) | Virial junk 438.86 ( 429.39 450.73 5.50) | Start sycnronization 0.65 ( 0.61 0.71 0.03) | Other 3.84 ( 3.69 3.99 0.07) | Ewald time 11966.57 ( 11906.53 12029.93 30.80) | Other 2.26 ( 2.10 2.42 0.07) | Nonbond force 15351.30 ( 15315.11 15384.49 17.75) | Bond/Angle/Dihedral 114.08 ( 110.09 140.57 6.02) | FRC Collect time 2673.51 ( 2555.63 3060.75 141.10) | Other 323.82 ( 286.83 365.00 19.69) | Force time 18462.70 ( 18346.89 18852.63 143.72) | Shake time 144.07 ( 119.02 419.46 49.71) | Verlet update time 1660.20 ( 1309.46 1817.42 136.43) | Ekcmr time 1276.29 ( 778.35 1750.33 246.44) | CRD distribute time 2526.45 ( 2151.74 2985.06 225.11) | Other 407.70 ( 348.53 456.63 27.33) | Runmd Time 24477.41 ( 24477.39 24477.98 0.10) | Other 1.24 ( 1.16 1.24 0.01) | Total time 24478.65 ( 24478.63 24479.22 0.10)