|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 1089.62 (56.87% of List ) | Other 826.41 (43.13% of List ) | List time 1916.03 (22.40% of Nonbo) | Short_ene time 1940.82 (62.46% of Direc) | Other 1166.71 (37.54% of Direc) | Direct Ewald time 3107.53 (46.83% of Ewald) | Adjust Ewald time 25.49 ( 0.38% of Ewald) | Self Ewald time 1.52 ( 0.02% of Ewald) | Fill Bspline coeffs 450.58 (16.81% of Recip) | Fill charge grid 136.83 ( 5.10% of Recip) | Scalar sum 185.45 ( 6.92% of Recip) | Grad sum 191.18 ( 7.13% of Recip) | FFT back comm time 1384.82 (82.58% of FFT t) | Other 292.06 (17.42% of FFT t) | FFT time 1676.88 (62.55% of Recip) | Other 40.03 ( 1.49% of Recip) | Recip Ewald time 2680.95 (40.40% of Ewald) | Force Adjust 238.97 ( 3.60% of Ewald) | Virial junk 579.53 ( 8.73% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.99 ( 0.01% of Ewald) | Ewald time 6635.53 (77.58% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8552.63 (65.18% of Force) | Bond/Angle/Dihedral 38.93 ( 0.30% of Force) | FRC Collect time 4133.67 (31.50% of Force) | Other 396.63 ( 3.02% of Force) | Force time 13121.86 (67.05% of Runmd) | Shake time 158.24 ( 0.81% of Runmd) | Verlet update time 1668.12 ( 8.52% of Runmd) | Ekcmr time 1989.63 (10.17% of Runmd) | CRD distribute time 2403.39 (12.28% of Runmd) | Other 228.87 ( 1.17% of Runmd) | Runmd Time 19570.12 (100.0% of Total) | Other 1.21 ( 0.01% of Total) | Total time 19571.43 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 1088.55 (57.03% of List ) | Other 820.17 (42.97% of List ) | List time 1908.72 (22.36% of Nonbo) | Short_ene time 1923.74 (62.02% of Direc) | Other 1177.85 (37.98% of Direc) | Direct Ewald time 3101.59 (46.80% of Ewald) | Adjust Ewald time 24.99 ( 0.38% of Ewald) | Fill Bspline coeffs 456.22 (17.05% of Recip) | Fill charge grid 130.79 ( 4.89% of Recip) | Scalar sum 185.34 ( 6.93% of Recip) | Grad sum 191.16 ( 7.15% of Recip) | FFT back comm time 1390.74 (83.01% of FFT t) | Other 284.65 (16.99% of FFT t) | FFT time 1675.39 (62.63% of Recip) | Other 36.32 ( 1.36% of Recip) | Recip Ewald time 2675.22 (40.37% of Ewald) | Force Adjust 238.91 ( 3.60% of Ewald) | Virial junk 584.86 ( 8.82% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.95 ( 0.01% of Ewald) | Ewald time 6627.29 (77.63% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8537.10 (65.28% of Force) | Bond/Angle/Dihedral 40.45 ( 0.31% of Force) | FRC Collect time 4088.64 (31.27% of Force) | Other 410.64 ( 3.14% of Force) | Force time 13076.82 (66.83% of Runmd) | Shake time 106.60 ( 0.54% of Runmd) | Verlet update time 800.00 ( 4.09% of Runmd) | Ekcmr time 2449.89 (12.52% of Runmd) | CRD distribute time 2887.40 (14.76% of Runmd) | Other 246.44 ( 1.26% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 1083.47 (56.31% of List ) | Other 840.50 (43.69% of List ) | List time 1923.96 (22.51% of Nonbo) | Short_ene time 1758.56 (59.43% of Direc) | Other 1200.70 (40.57% of Direc) | Direct Ewald time 2959.26 (44.69% of Ewald) | Adjust Ewald time 25.83 ( 0.39% of Ewald) | Fill Bspline coeffs 457.32 (17.15% of Recip) | Fill charge grid 133.51 ( 5.01% of Recip) | Scalar sum 185.44 ( 6.95% of Recip) | Grad sum 191.38 ( 7.18% of Recip) | FFT back comm time 1392.31 (83.69% of FFT t) | Other 271.38 (16.31% of FFT t) | FFT time 1663.68 (62.39% of Recip) | Other 35.23 ( 1.32% of Recip) | Recip Ewald time 2666.57 (40.27% of Ewald) | Force Adjust 391.13 ( 5.91% of Ewald) | Virial junk 577.40 ( 8.72% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 0.97 ( 0.01% of Ewald) | Ewald time 6621.96 (77.48% of Nonbo) | Other 0.88 ( 0.01% of Nonbo) | Nonbond force 8546.96 (65.70% of Force) | Bond/Angle/Dihedral 39.95 ( 0.31% of Force) | FRC Collect time 4018.61 (30.89% of Force) | Other 403.03 ( 3.10% of Force) | Force time 13008.55 (66.48% of Runmd) | Shake time 90.64 ( 0.46% of Runmd) | Verlet update time 875.59 ( 4.47% of Runmd) | Ekcmr time 2661.72 (13.60% of Runmd) | CRD distribute time 2701.68 (13.81% of Runmd) | Other 228.98 ( 1.17% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 1092.54 (57.02% of List ) | Other 823.36 (42.98% of List ) | List time 1915.89 (22.40% of Nonbo) | Short_ene time 1849.87 (61.27% of Direc) | Other 1169.12 (38.73% of Direc) | Direct Ewald time 3018.99 (45.49% of Ewald) | Adjust Ewald time 25.92 ( 0.39% of Ewald) | Fill Bspline coeffs 463.27 (17.26% of Recip) | Fill charge grid 129.47 ( 4.82% of Recip) | Scalar sum 185.30 ( 6.90% of Recip) | Grad sum 191.46 ( 7.13% of Recip) | FFT back comm time 1393.37 (82.96% of FFT t) | Other 286.27 (17.04% of FFT t) | FFT time 1679.63 (62.57% of Recip) | Other 35.10 ( 1.31% of Recip) | Recip Ewald time 2684.24 (40.44% of Ewald) | Force Adjust 317.23 ( 4.78% of Ewald) | Virial junk 588.67 ( 8.87% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6636.80 (77.59% of Nonbo) | Other 0.97 ( 0.01% of Nonbo) | Nonbond force 8553.82 (65.75% of Force) | Bond/Angle/Dihedral 40.55 ( 0.31% of Force) | FRC Collect time 4018.40 (30.89% of Force) | Other 396.60 ( 3.05% of Force) | Force time 13009.38 (66.49% of Runmd) | Shake time 94.10 ( 0.48% of Runmd) | Verlet update time 932.00 ( 4.76% of Runmd) | Ekcmr time 2035.55 (10.40% of Runmd) | CRD distribute time 3229.16 (16.50% of Runmd) | Other 266.97 ( 1.36% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 1083.35 (56.27% of List ) | Other 842.09 (43.73% of List ) | List time 1925.44 (22.53% of Nonbo) | Short_ene time 1951.65 (62.43% of Direc) | Other 1174.64 (37.57% of Direc) | Direct Ewald time 3126.28 (47.23% of Ewald) | Adjust Ewald time 25.18 ( 0.38% of Ewald) | Fill Bspline coeffs 474.06 (17.79% of Recip) | Fill charge grid 126.71 ( 4.76% of Recip) | Scalar sum 185.22 ( 6.95% of Recip) | Grad sum 194.87 ( 7.31% of Recip) | FFT back comm time 1397.99 (84.56% of FFT t) | Other 255.30 (15.44% of FFT t) | FFT time 1653.28 (62.05% of Recip) | Other 30.28 ( 1.14% of Recip) | Recip Ewald time 2664.43 (40.26% of Ewald) | Force Adjust 226.63 ( 3.42% of Ewald) | Virial junk 574.64 ( 8.68% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.92 ( 0.01% of Ewald) | Ewald time 6618.81 (77.46% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8545.31 (66.14% of Force) | Bond/Angle/Dihedral 40.65 ( 0.31% of Force) | FRC Collect time 3926.48 (30.39% of Force) | Other 406.66 ( 3.15% of Force) | Force time 12919.10 (66.02% of Runmd) | Shake time 120.64 ( 0.62% of Runmd) | Verlet update time 922.72 ( 4.72% of Runmd) | Ekcmr time 2480.28 (12.68% of Runmd) | CRD distribute time 2871.64 (14.68% of Runmd) | Other 252.79 ( 1.29% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 1084.84 (56.99% of List ) | Other 818.58 (43.01% of List ) | List time 1903.42 (22.30% of Nonbo) | Short_ene time 1742.54 (59.05% of Direc) | Other 1208.48 (40.95% of Direc) | Direct Ewald time 2951.02 (44.51% of Ewald) | Adjust Ewald time 25.64 ( 0.39% of Ewald) | Fill Bspline coeffs 469.43 (17.53% of Recip) | Fill charge grid 133.84 ( 5.00% of Recip) | Scalar sum 185.24 ( 6.92% of Recip) | Grad sum 192.05 ( 7.17% of Recip) | FFT back comm time 1400.19 (84.06% of FFT t) | Other 265.55 (15.94% of FFT t) | FFT time 1665.74 (62.19% of Recip) | Other 32.20 ( 1.20% of Recip) | Recip Ewald time 2678.49 (40.40% of Ewald) | Force Adjust 393.50 ( 5.94% of Ewald) | Virial junk 579.40 ( 8.74% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 1.02 ( 0.02% of Ewald) | Ewald time 6629.92 (77.68% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8534.44 (66.07% of Force) | Bond/Angle/Dihedral 40.73 ( 0.32% of Force) | FRC Collect time 3926.13 (30.39% of Force) | Other 415.93 ( 3.22% of Force) | Force time 12917.23 (66.01% of Runmd) | Shake time 122.86 ( 0.63% of Runmd) | Verlet update time 1012.38 ( 5.17% of Runmd) | Ekcmr time 1798.49 ( 9.19% of Runmd) | CRD distribute time 3431.80 (17.54% of Runmd) | Other 284.40 ( 1.45% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 1088.38 (56.88% of List ) | Other 824.95 (43.12% of List ) | List time 1913.33 (22.39% of Nonbo) | Short_ene time 1840.12 (60.87% of Direc) | Other 1182.90 (39.13% of Direc) | Direct Ewald time 3023.02 (45.59% of Ewald) | Adjust Ewald time 25.51 ( 0.38% of Ewald) | Fill Bspline coeffs 479.24 (17.91% of Recip) | Fill charge grid 126.90 ( 4.74% of Recip) | Scalar sum 184.95 ( 6.91% of Recip) | Grad sum 192.78 ( 7.21% of Recip) | FFT back comm time 1401.51 (84.41% of FFT t) | Other 258.83 (15.59% of FFT t) | FFT time 1660.34 (62.06% of Recip) | Other 31.13 ( 1.16% of Recip) | Recip Ewald time 2675.35 (40.35% of Ewald) | Force Adjust 325.45 ( 4.91% of Ewald) | Virial junk 579.31 ( 8.74% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 0.99 ( 0.01% of Ewald) | Ewald time 6630.46 (77.59% of Nonbo) | Other 1.01 ( 0.01% of Nonbo) | Nonbond force 8544.97 (66.14% of Force) | Bond/Angle/Dihedral 40.17 ( 0.31% of Force) | FRC Collect time 3926.79 (30.39% of Force) | Other 407.95 ( 3.16% of Force) | Force time 12919.88 (66.03% of Runmd) | Shake time 119.78 ( 0.61% of Runmd) | Verlet update time 988.72 ( 5.05% of Runmd) | Ekcmr time 1802.87 ( 9.21% of Runmd) | CRD distribute time 3473.45 (17.75% of Runmd) | Other 262.45 ( 1.34% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 1087.35 (56.81% of List ) | Other 826.70 (43.19% of List ) | List time 1914.05 (22.40% of Nonbo) | Short_ene time 2011.74 (63.36% of Direc) | Other 1163.52 (36.64% of Direc) | Direct Ewald time 3175.27 (47.89% of Ewald) | Adjust Ewald time 25.16 ( 0.38% of Ewald) | Fill Bspline coeffs 478.54 (17.86% of Recip) | Fill charge grid 123.79 ( 4.62% of Recip) | Scalar sum 184.85 ( 6.90% of Recip) | Grad sum 191.41 ( 7.15% of Recip) | FFT back comm time 1404.22 (84.10% of FFT t) | Other 265.50 (15.90% of FFT t) | FFT time 1669.73 (62.33% of Recip) | Other 30.50 ( 1.14% of Recip) | Recip Ewald time 2678.82 (40.40% of Ewald) | Force Adjust 163.71 ( 2.47% of Ewald) | Virial junk 586.22 ( 8.84% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.94 ( 0.01% of Ewald) | Ewald time 6630.89 (77.59% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8546.05 (66.15% of Force) | Bond/Angle/Dihedral 40.34 ( 0.31% of Force) | FRC Collect time 3926.34 (30.39% of Force) | Other 406.97 ( 3.15% of Force) | Force time 12919.70 (66.03% of Runmd) | Shake time 120.15 ( 0.61% of Runmd) | Verlet update time 1009.30 ( 5.16% of Runmd) | Ekcmr time 1789.93 ( 9.15% of Runmd) | CRD distribute time 3441.39 (17.59% of Runmd) | Other 286.69 ( 1.47% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 1085.64 (56.62% of List ) | Other 831.61 (43.38% of List ) | List time 1917.25 (22.44% of Nonbo) | Short_ene time 1772.09 (59.72% of Direc) | Other 1195.11 (40.28% of Direc) | Direct Ewald time 2967.21 (44.79% of Ewald) | Adjust Ewald time 25.72 ( 0.39% of Ewald) | Fill Bspline coeffs 464.02 (17.38% of Recip) | Fill charge grid 131.81 ( 4.94% of Recip) | Scalar sum 185.66 ( 6.95% of Recip) | Grad sum 189.58 ( 7.10% of Recip) | FFT back comm time 1391.44 (83.75% of FFT t) | Other 270.02 (16.25% of FFT t) | FFT time 1661.47 (62.24% of Recip) | Other 37.05 ( 1.39% of Recip) | Recip Ewald time 2669.59 (40.30% of Ewald) | Force Adjust 378.51 ( 5.71% of Ewald) | Virial junk 581.42 ( 8.78% of Ewald) | Start sycnronization 0.56 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6624.17 (77.54% of Nonbo) | Other 0.96 ( 0.01% of Nonbo) | Nonbond force 8542.54 (66.47% of Force) | Bond/Angle/Dihedral 40.47 ( 0.31% of Force) | FRC Collect time 3862.50 (30.06% of Force) | Other 405.46 ( 3.16% of Force) | Force time 12850.96 (65.68% of Runmd) | Shake time 134.42 ( 0.69% of Runmd) | Verlet update time 900.64 ( 4.60% of Runmd) | Ekcmr time 3535.86 (18.07% of Runmd) | CRD distribute time 1946.13 ( 9.95% of Runmd) | Other 199.15 ( 1.02% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 1083.64 (56.58% of List ) | Other 831.62 (43.42% of List ) | List time 1915.26 (22.43% of Nonbo) | Short_ene time 1808.22 (60.27% of Direc) | Other 1191.82 (39.73% of Direc) | Direct Ewald time 3000.04 (45.29% of Ewald) | Adjust Ewald time 25.67 ( 0.39% of Ewald) | Fill Bspline coeffs 468.05 (17.52% of Recip) | Fill charge grid 128.28 ( 4.80% of Recip) | Scalar sum 185.57 ( 6.95% of Recip) | Grad sum 189.15 ( 7.08% of Recip) | FFT back comm time 1391.69 (83.65% of FFT t) | Other 272.01 (16.35% of FFT t) | FFT time 1663.70 (62.27% of Recip) | Other 36.81 ( 1.38% of Recip) | Recip Ewald time 2671.55 (40.33% of Ewald) | Force Adjust 342.33 ( 5.17% of Ewald) | Virial junk 582.87 ( 8.80% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.94 ( 0.01% of Ewald) | Ewald time 6624.14 (77.56% of Nonbo) | Other 0.92 ( 0.01% of Nonbo) | Nonbond force 8540.47 (66.47% of Force) | Bond/Angle/Dihedral 41.05 ( 0.32% of Force) | FRC Collect time 3862.61 (30.06% of Force) | Other 405.24 ( 3.15% of Force) | Force time 12849.36 (65.67% of Runmd) | Shake time 133.84 ( 0.68% of Runmd) | Verlet update time 975.84 ( 4.99% of Runmd) | Ekcmr time 2660.55 (13.60% of Runmd) | CRD distribute time 2688.50 (13.74% of Runmd) | Other 259.06 ( 1.32% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 1089.01 (57.14% of List ) | Other 816.95 (42.86% of List ) | List time 1905.96 (22.31% of Nonbo) | Short_ene time 2049.00 (64.09% of Direc) | Other 1147.92 (35.91% of Direc) | Direct Ewald time 3196.92 (48.16% of Ewald) | Adjust Ewald time 25.19 ( 0.38% of Ewald) | Fill Bspline coeffs 463.56 (17.28% of Recip) | Fill charge grid 132.75 ( 4.95% of Recip) | Scalar sum 185.62 ( 6.92% of Recip) | Grad sum 191.09 ( 7.12% of Recip) | FFT back comm time 1392.66 (83.13% of FFT t) | Other 282.52 (16.87% of FFT t) | FFT time 1675.19 (62.44% of Recip) | Other 34.65 ( 1.29% of Recip) | Recip Ewald time 2682.86 (40.42% of Ewald) | Force Adjust 146.95 ( 2.21% of Ewald) | Virial junk 584.20 ( 8.80% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 0.95 ( 0.01% of Ewald) | Ewald time 6637.87 (77.68% of Nonbo) | Other 0.96 ( 0.01% of Nonbo) | Nonbond force 8544.95 (66.49% of Force) | Bond/Angle/Dihedral 40.09 ( 0.31% of Force) | FRC Collect time 3861.63 (30.05% of Force) | Other 404.06 ( 3.14% of Force) | Force time 12850.73 (65.67% of Runmd) | Shake time 133.32 ( 0.68% of Runmd) | Verlet update time 951.75 ( 4.86% of Runmd) | Ekcmr time 2928.87 (14.97% of Runmd) | CRD distribute time 2465.77 (12.60% of Runmd) | Other 236.72 ( 1.21% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 1080.94 (56.52% of List ) | Other 831.57 (43.48% of List ) | List time 1912.51 (22.41% of Nonbo) | Short_ene time 1786.01 (59.79% of Direc) | Other 1201.36 (40.21% of Direc) | Direct Ewald time 2987.37 (45.12% of Ewald) | Adjust Ewald time 25.75 ( 0.39% of Ewald) | Fill Bspline coeffs 467.81 (17.53% of Recip) | Fill charge grid 127.42 ( 4.78% of Recip) | Scalar sum 185.36 ( 6.95% of Recip) | Grad sum 191.35 ( 7.17% of Recip) | FFT back comm time 1394.55 (83.85% of FFT t) | Other 268.69 (16.15% of FFT t) | FFT time 1663.23 (62.33% of Recip) | Other 33.14 ( 1.24% of Recip) | Recip Ewald time 2668.31 (40.30% of Ewald) | Force Adjust 355.13 ( 5.36% of Ewald) | Virial junk 582.42 ( 8.80% of Ewald) | Start sycnronization 0.50 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6620.63 (77.58% of Nonbo) | Other 0.80 ( 0.01% of Nonbo) | Nonbond force 8534.08 (66.41% of Force) | Bond/Angle/Dihedral 39.51 ( 0.31% of Force) | FRC Collect time 3861.27 (30.05% of Force) | Other 415.82 ( 3.24% of Force) | Force time 12850.68 (65.67% of Runmd) | Shake time 134.48 ( 0.69% of Runmd) | Verlet update time 1031.66 ( 5.27% of Runmd) | Ekcmr time 2114.33 (10.81% of Runmd) | CRD distribute time 3156.20 (16.13% of Runmd) | Other 279.81 ( 1.43% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 1086.60 (56.55% of List ) | Other 834.91 (43.45% of List ) | List time 1921.51 (22.47% of Nonbo) | Short_ene time 1826.01 (59.98% of Direc) | Other 1218.60 (40.02% of Direc) | Direct Ewald time 3044.61 (45.92% of Ewald) | Adjust Ewald time 25.34 ( 0.38% of Ewald) | Fill Bspline coeffs 470.19 (17.57% of Recip) | Fill charge grid 128.91 ( 4.82% of Recip) | Scalar sum 185.13 ( 6.92% of Recip) | Grad sum 193.97 ( 7.25% of Recip) | FFT back comm time 1398.34 (83.81% of FFT t) | Other 270.15 (16.19% of FFT t) | FFT time 1668.50 (62.35% of Recip) | Other 29.40 ( 1.10% of Recip) | Recip Ewald time 2676.10 (40.37% of Ewald) | Force Adjust 302.20 ( 4.56% of Ewald) | Virial junk 579.73 ( 8.74% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.97 ( 0.01% of Ewald) | Ewald time 6629.75 (77.52% of Nonbo) | Other 0.90 ( 0.01% of Nonbo) | Nonbond force 8552.32 (66.54% of Force) | Bond/Angle/Dihedral 41.06 ( 0.32% of Force) | FRC Collect time 3862.13 (30.05% of Force) | Other 396.78 ( 3.09% of Force) | Force time 12852.27 (65.68% of Runmd) | Shake time 134.40 ( 0.69% of Runmd) | Verlet update time 973.13 ( 4.97% of Runmd) | Ekcmr time 2697.64 (13.79% of Runmd) | CRD distribute time 2653.04 (13.56% of Runmd) | Other 256.68 ( 1.31% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 1089.22 (56.91% of List ) | Other 824.71 (43.09% of List ) | List time 1913.93 (22.39% of Nonbo) | Short_ene time 1989.44 (63.36% of Direc) | Other 1150.42 (36.64% of Direc) | Direct Ewald time 3139.86 (47.33% of Ewald) | Adjust Ewald time 25.34 ( 0.38% of Ewald) | Fill Bspline coeffs 468.47 (17.46% of Recip) | Fill charge grid 127.49 ( 4.75% of Recip) | Scalar sum 184.91 ( 6.89% of Recip) | Grad sum 191.92 ( 7.15% of Recip) | FFT back comm time 1399.67 (83.33% of FFT t) | Other 280.02 (16.67% of FFT t) | FFT time 1679.69 (62.60% of Recip) | Other 30.54 ( 1.14% of Recip) | Recip Ewald time 2683.01 (40.44% of Ewald) | Force Adjust 202.49 ( 3.05% of Ewald) | Virial junk 582.14 ( 8.77% of Ewald) | Start sycnronization 0.54 ( 0.01% of Ewald) | Other 0.89 ( 0.01% of Ewald) | Ewald time 6634.46 (77.60% of Nonbo) | Other 0.89 ( 0.01% of Nonbo) | Nonbond force 8549.43 (66.53% of Force) | Bond/Angle/Dihedral 41.25 ( 0.32% of Force) | FRC Collect time 3861.89 (30.05% of Force) | Other 398.30 ( 3.10% of Force) | Force time 12850.87 (65.68% of Runmd) | Shake time 133.00 ( 0.68% of Runmd) | Verlet update time 1058.87 ( 5.41% of Runmd) | Ekcmr time 1864.05 ( 9.53% of Runmd) | CRD distribute time 3406.76 (17.41% of Runmd) | Other 253.60 ( 1.30% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 1088.54 (56.72% of List ) | Other 830.62 (43.28% of List ) | List time 1919.16 (22.44% of Nonbo) | Short_ene time 1787.73 (59.89% of Direc) | Other 1197.44 (40.11% of Direc) | Direct Ewald time 2985.16 (45.02% of Ewald) | Adjust Ewald time 25.56 ( 0.39% of Ewald) | Fill Bspline coeffs 475.04 (17.74% of Recip) | Fill charge grid 128.96 ( 4.82% of Recip) | Scalar sum 184.89 ( 6.91% of Recip) | Grad sum 193.12 ( 7.21% of Recip) | FFT back comm time 1400.02 (84.08% of FFT t) | Other 265.00 (15.92% of FFT t) | FFT time 1665.02 (62.19% of Recip) | Other 30.08 ( 1.12% of Recip) | Recip Ewald time 2677.11 (40.37% of Ewald) | Force Adjust 362.14 ( 5.46% of Ewald) | Virial junk 579.28 ( 8.74% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 0.97 ( 0.01% of Ewald) | Ewald time 6631.04 (77.54% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8551.30 (66.54% of Force) | Bond/Angle/Dihedral 40.89 ( 0.32% of Force) | FRC Collect time 3860.75 (30.04% of Force) | Other 398.94 ( 3.10% of Force) | Force time 12851.88 (65.68% of Runmd) | Shake time 135.04 ( 0.69% of Runmd) | Verlet update time 1021.25 ( 5.22% of Runmd) | Ekcmr time 2143.13 (10.95% of Runmd) | CRD distribute time 3133.19 (16.01% of Runmd) | Other 282.67 ( 1.44% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 1094.59 (57.29% of List ) | Other 816.11 (42.71% of List ) | List time 1910.69 (22.35% of Nonbo) | Short_ene time 1829.51 (60.16% of Direc) | Other 1211.65 (39.84% of Direc) | Direct Ewald time 3041.16 (45.83% of Ewald) | Adjust Ewald time 25.54 ( 0.38% of Ewald) | Fill Bspline coeffs 479.88 (17.88% of Recip) | Fill charge grid 132.83 ( 4.95% of Recip) | Scalar sum 184.93 ( 6.89% of Recip) | Grad sum 194.75 ( 7.26% of Recip) | FFT back comm time 1402.81 (84.29% of FFT t) | Other 261.39 (15.71% of FFT t) | FFT time 1664.20 (62.02% of Recip) | Other 26.77 ( 1.00% of Recip) | Recip Ewald time 2683.36 (40.44% of Ewald) | Force Adjust 301.85 ( 4.55% of Ewald) | Virial junk 581.59 ( 8.77% of Ewald) | Start sycnronization 0.67 ( 0.01% of Ewald) | Other 0.99 ( 0.01% of Ewald) | Ewald time 6635.37 (77.63% of Nonbo) | Other 0.96 ( 0.01% of Nonbo) | Nonbond force 8547.19 (66.51% of Force) | Bond/Angle/Dihedral 41.22 ( 0.32% of Force) | FRC Collect time 3860.46 (30.04% of Force) | Other 402.31 ( 3.13% of Force) | Force time 12851.18 (65.68% of Runmd) | Shake time 135.88 ( 0.69% of Runmd) | Verlet update time 1095.42 ( 5.60% of Runmd) | Ekcmr time 1714.04 ( 8.76% of Runmd) | CRD distribute time 3516.50 (17.97% of Runmd) | Other 254.14 ( 1.30% of Runmd) | Runmd Time 19567.16 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 1083.61 (56.40% of List ) | Other 837.62 (43.60% of List ) | List time 1921.23 (22.50% of Nonbo) | Short_ene time 1948.24 (62.27% of Direc) | Other 1180.68 (37.73% of Direc) | Direct Ewald time 3128.92 (47.28% of Ewald) | Adjust Ewald time 25.25 ( 0.38% of Ewald) | Fill Bspline coeffs 467.37 (17.55% of Recip) | Fill charge grid 127.48 ( 4.79% of Recip) | Scalar sum 185.50 ( 6.97% of Recip) | Grad sum 192.49 ( 7.23% of Recip) | FFT back comm time 1378.21 (83.21% of FFT t) | Other 278.01 (16.79% of FFT t) | FFT time 1656.23 (62.20% of Recip) | Other 33.80 ( 1.27% of Recip) | Recip Ewald time 2662.87 (40.24% of Ewald) | Force Adjust 222.77 ( 3.37% of Ewald) | Virial junk 576.61 ( 8.71% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6618.04 (77.49% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8540.33 (67.05% of Force) | Bond/Angle/Dihedral 40.72 ( 0.32% of Force) | FRC Collect time 3749.11 (29.43% of Force) | Other 406.92 ( 3.19% of Force) | Force time 12737.08 (65.09% of Runmd) | Shake time 135.67 ( 0.69% of Runmd) | Verlet update time 1050.58 ( 5.37% of Runmd) | Ekcmr time 3234.13 (16.53% of Runmd) | CRD distribute time 2176.90 (11.13% of Runmd) | Other 232.79 ( 1.19% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 1091.97 (57.61% of List ) | Other 803.49 (42.39% of List ) | List time 1895.46 (22.18% of Nonbo) | Short_ene time 1826.12 (61.19% of Direc) | Other 1158.16 (38.81% of Direc) | Direct Ewald time 2984.28 (44.87% of Ewald) | Adjust Ewald time 26.08 ( 0.39% of Ewald) | Fill Bspline coeffs 459.19 (17.03% of Recip) | Fill charge grid 141.67 ( 5.25% of Recip) | Scalar sum 185.25 ( 6.87% of Recip) | Grad sum 193.01 ( 7.16% of Recip) | FFT back comm time 1381.02 (81.93% of FFT t) | Other 304.56 (18.07% of FFT t) | FFT time 1685.58 (62.50% of Recip) | Other 32.32 ( 1.20% of Recip) | Recip Ewald time 2697.03 (40.55% of Ewald) | Force Adjust 362.36 ( 5.45% of Ewald) | Virial junk 579.03 ( 8.71% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.06 ( 0.02% of Ewald) | Ewald time 6650.76 (77.81% of Nonbo) | Other 0.99 ( 0.01% of Nonbo) | Nonbond force 8547.39 (67.11% of Force) | Bond/Angle/Dihedral 41.58 ( 0.33% of Force) | FRC Collect time 3749.32 (29.44% of Force) | Other 397.48 ( 3.12% of Force) | Force time 12735.77 (65.09% of Runmd) | Shake time 135.35 ( 0.69% of Runmd) | Verlet update time 1115.61 ( 5.70% of Runmd) | Ekcmr time 2482.61 (12.69% of Runmd) | CRD distribute time 2821.15 (14.42% of Runmd) | Other 276.65 ( 1.41% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 1084.56 (56.30% of List ) | Other 841.97 (43.70% of List ) | List time 1926.53 (22.54% of Nonbo) | Short_ene time 1763.45 (59.38% of Direc) | Other 1206.45 (40.62% of Direc) | Direct Ewald time 2969.90 (44.87% of Ewald) | Adjust Ewald time 25.44 ( 0.38% of Ewald) | Fill Bspline coeffs 471.37 (17.70% of Recip) | Fill charge grid 123.05 ( 4.62% of Recip) | Scalar sum 185.49 ( 6.96% of Recip) | Grad sum 193.35 ( 7.26% of Recip) | FFT back comm time 1381.54 (83.23% of FFT t) | Other 278.30 (16.77% of FFT t) | FFT time 1659.84 (62.31% of Recip) | Other 30.64 ( 1.15% of Recip) | Recip Ewald time 2663.73 (40.24% of Ewald) | Force Adjust 383.30 ( 5.79% of Ewald) | Virial junk 575.17 ( 8.69% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6619.16 (77.45% of Nonbo) | Other 0.89 ( 0.01% of Nonbo) | Nonbond force 8546.72 (67.10% of Force) | Bond/Angle/Dihedral 40.90 ( 0.32% of Force) | FRC Collect time 3749.73 (29.44% of Force) | Other 400.56 ( 3.14% of Force) | Force time 12737.92 (65.10% of Runmd) | Shake time 134.27 ( 0.69% of Runmd) | Verlet update time 1102.87 ( 5.64% of Runmd) | Ekcmr time 2765.78 (14.13% of Runmd) | CRD distribute time 2563.77 (13.10% of Runmd) | Other 262.53 ( 1.34% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 1090.81 (57.20% of List ) | Other 816.09 (42.80% of List ) | List time 1906.90 (22.32% of Nonbo) | Short_ene time 1952.83 (62.69% of Direc) | Other 1162.47 (37.31% of Direc) | Direct Ewald time 3115.30 (46.95% of Ewald) | Adjust Ewald time 25.20 ( 0.38% of Ewald) | Fill Bspline coeffs 465.84 (17.36% of Recip) | Fill charge grid 133.12 ( 4.96% of Recip) | Scalar sum 185.49 ( 6.91% of Recip) | Grad sum 194.20 ( 7.24% of Recip) | FFT back comm time 1382.71 (82.58% of FFT t) | Other 291.62 (17.42% of FFT t) | FFT time 1674.34 (62.40% of Recip) | Other 30.26 ( 1.13% of Recip) | Recip Ewald time 2683.25 (40.43% of Ewald) | Force Adjust 228.00 ( 3.44% of Ewald) | Virial junk 582.43 ( 8.78% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 0.99 ( 0.01% of Ewald) | Ewald time 6636.05 (77.67% of Nonbo) | Other 0.97 ( 0.01% of Nonbo) | Nonbond force 8544.09 (67.07% of Force) | Bond/Angle/Dihedral 42.14 ( 0.33% of Force) | FRC Collect time 3749.42 (29.43% of Force) | Other 402.83 ( 3.16% of Force) | Force time 12738.48 (65.10% of Runmd) | Shake time 134.67 ( 0.69% of Runmd) | Verlet update time 1202.46 ( 6.15% of Runmd) | Ekcmr time 2040.81 (10.43% of Runmd) | CRD distribute time 3130.97 (16.00% of Runmd) | Other 319.75 ( 1.63% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 1095.90 (57.29% of List ) | Other 817.02 (42.71% of List ) | List time 1912.93 (22.37% of Nonbo) | Short_ene time 1837.40 (60.83% of Direc) | Other 1183.21 (39.17% of Direc) | Direct Ewald time 3020.61 (45.50% of Ewald) | Adjust Ewald time 25.71 ( 0.39% of Ewald) | Fill Bspline coeffs 464.47 (17.31% of Recip) | Fill charge grid 131.23 ( 4.89% of Recip) | Scalar sum 185.03 ( 6.90% of Recip) | Grad sum 194.89 ( 7.26% of Recip) | FFT back comm time 1388.25 (82.57% of FFT t) | Other 293.08 (17.43% of FFT t) | FFT time 1681.33 (62.66% of Recip) | Other 26.32 ( 0.98% of Recip) | Recip Ewald time 2683.26 (40.42% of Ewald) | Force Adjust 337.31 ( 5.08% of Ewald) | Virial junk 569.68 ( 8.58% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 0.92 ( 0.01% of Ewald) | Ewald time 6638.28 (77.62% of Nonbo) | Other 0.92 ( 0.01% of Nonbo) | Nonbond force 8552.27 (67.13% of Force) | Bond/Angle/Dihedral 41.05 ( 0.32% of Force) | FRC Collect time 3750.02 (29.44% of Force) | Other 396.37 ( 3.11% of Force) | Force time 12739.71 (65.11% of Runmd) | Shake time 132.76 ( 0.68% of Runmd) | Verlet update time 1117.14 ( 5.71% of Runmd) | Ekcmr time 2559.56 (13.08% of Runmd) | CRD distribute time 2726.28 (13.93% of Runmd) | Other 291.69 ( 1.49% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 1091.27 (57.47% of List ) | Other 807.46 (42.53% of List ) | List time 1898.72 (22.24% of Nonbo) | Short_ene time 1761.11 (59.22% of Direc) | Other 1212.53 (40.78% of Direc) | Direct Ewald time 2973.63 (44.81% of Ewald) | Adjust Ewald time 25.45 ( 0.38% of Ewald) | Fill Bspline coeffs 466.12 (17.37% of Recip) | Fill charge grid 136.74 ( 5.10% of Recip) | Scalar sum 185.21 ( 6.90% of Recip) | Grad sum 198.31 ( 7.39% of Recip) | FFT back comm time 1389.65 (82.97% of FFT t) | Other 285.24 (17.03% of FFT t) | FFT time 1674.89 (62.41% of Recip) | Other 22.50 ( 0.84% of Recip) | Recip Ewald time 2683.76 (40.44% of Ewald) | Force Adjust 376.46 ( 5.67% of Ewald) | Virial junk 575.37 ( 8.67% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 0.99 ( 0.01% of Ewald) | Ewald time 6636.53 (77.74% of Nonbo) | Other 0.88 ( 0.01% of Nonbo) | Nonbond force 8536.29 (67.01% of Force) | Bond/Angle/Dihedral 42.01 ( 0.33% of Force) | FRC Collect time 3749.89 (29.44% of Force) | Other 409.92 ( 3.22% of Force) | Force time 12738.11 (65.10% of Runmd) | Shake time 134.93 ( 0.69% of Runmd) | Verlet update time 1226.35 ( 6.27% of Runmd) | Ekcmr time 1891.49 ( 9.67% of Runmd) | CRD distribute time 3269.56 (16.71% of Runmd) | Other 306.72 ( 1.57% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 1088.53 (56.80% of List ) | Other 827.90 (43.20% of List ) | List time 1916.43 (22.42% of Nonbo) | Short_ene time 1889.42 (61.64% of Direc) | Other 1175.88 (38.36% of Direc) | Direct Ewald time 3065.30 (46.23% of Ewald) | Adjust Ewald time 25.46 ( 0.38% of Ewald) | Fill Bspline coeffs 463.45 (17.33% of Recip) | Fill charge grid 134.77 ( 5.04% of Recip) | Scalar sum 184.90 ( 6.91% of Recip) | Grad sum 197.32 ( 7.38% of Recip) | FFT back comm time 1391.21 (83.22% of FFT t) | Other 280.56 (16.78% of FFT t) | FFT time 1671.77 (62.50% of Recip) | Other 22.75 ( 0.85% of Recip) | Recip Ewald time 2674.96 (40.34% of Ewald) | Force Adjust 288.27 ( 4.35% of Ewald) | Virial junk 574.56 ( 8.67% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 0.95 ( 0.01% of Ewald) | Ewald time 6630.33 (77.57% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8547.89 (67.09% of Force) | Bond/Angle/Dihedral 40.97 ( 0.32% of Force) | FRC Collect time 3749.22 (29.43% of Force) | Other 401.91 ( 3.15% of Force) | Force time 12739.98 (65.11% of Runmd) | Shake time 135.51 ( 0.69% of Runmd) | Verlet update time 1200.74 ( 6.14% of Runmd) | Ekcmr time 2011.40 (10.28% of Runmd) | CRD distribute time 3150.17 (16.10% of Runmd) | Other 329.34 ( 1.68% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 1079.69 (56.78% of List ) | Other 821.84 (43.22% of List ) | List time 1901.53 (22.30% of Nonbo) | Short_ene time 1853.00 (60.63% of Direc) | Other 1203.42 (39.37% of Direc) | Direct Ewald time 3056.42 (46.15% of Ewald) | Adjust Ewald time 25.49 ( 0.38% of Ewald) | Fill Bspline coeffs 461.21 (17.27% of Recip) | Fill charge grid 128.62 ( 4.82% of Recip) | Scalar sum 184.96 ( 6.93% of Recip) | Grad sum 195.51 ( 7.32% of Recip) | FFT back comm time 1392.64 (83.04% of FFT t) | Other 284.44 (16.96% of FFT t) | FFT time 1677.07 (62.79% of Recip) | Other 23.41 ( 0.88% of Recip) | Recip Ewald time 2670.79 (40.33% of Ewald) | Force Adjust 290.32 ( 4.38% of Ewald) | Virial junk 578.61 ( 8.74% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.86 ( 0.01% of Ewald) | Ewald time 6623.15 (77.68% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8525.73 (66.92% of Force) | Bond/Angle/Dihedral 42.01 ( 0.33% of Force) | FRC Collect time 3748.75 (29.43% of Force) | Other 422.97 ( 3.32% of Force) | Force time 12739.46 (65.11% of Runmd) | Shake time 135.58 ( 0.69% of Runmd) | Verlet update time 1227.75 ( 6.27% of Runmd) | Ekcmr time 1860.57 ( 9.51% of Runmd) | CRD distribute time 3285.83 (16.79% of Runmd) | Other 317.96 ( 1.62% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 1079.48 (56.67% of List ) | Other 825.51 (43.33% of List ) | List time 1904.98 (22.33% of Nonbo) | Short_ene time 1778.75 (59.90% of Direc) | Other 1190.65 (40.10% of Direc) | Direct Ewald time 2969.41 (44.82% of Ewald) | Adjust Ewald time 25.97 ( 0.39% of Ewald) | Fill Bspline coeffs 461.74 (17.29% of Recip) | Fill charge grid 116.81 ( 4.38% of Recip) | Scalar sum 184.82 ( 6.92% of Recip) | Grad sum 170.28 ( 6.38% of Recip) | FFT back comm time 1382.71 (82.11% of FFT t) | Other 301.33 (17.89% of FFT t) | FFT time 1684.04 (63.08% of Recip) | Other 52.16 ( 1.95% of Recip) | Recip Ewald time 2669.84 (40.30% of Ewald) | Force Adjust 385.87 ( 5.82% of Ewald) | Virial junk 572.28 ( 8.64% of Ewald) | Start sycnronization 0.57 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6625.10 (77.66% of Nonbo) | Other 0.78 ( 0.01% of Nonbo) | Nonbond force 8531.01 (66.98% of Force) | Bond/Angle/Dihedral 41.70 ( 0.33% of Force) | FRC Collect time 3750.86 (29.45% of Force) | Other 413.77 ( 3.25% of Force) | Force time 12737.34 (65.10% of Runmd) | Shake time 134.80 ( 0.69% of Runmd) | Verlet update time 1031.60 ( 5.27% of Runmd) | Ekcmr time 3333.70 (17.04% of Runmd) | CRD distribute time 2123.19 (10.85% of Runmd) | Other 206.52 ( 1.06% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 1088.17 (57.36% of List ) | Other 809.05 (42.64% of List ) | List time 1897.22 (22.26% of Nonbo) | Short_ene time 1846.97 (61.00% of Direc) | Other 1180.75 (39.00% of Direc) | Direct Ewald time 3027.72 (45.71% of Ewald) | Adjust Ewald time 26.10 ( 0.39% of Ewald) | Fill Bspline coeffs 460.31 (17.24% of Recip) | Fill charge grid 114.66 ( 4.29% of Recip) | Scalar sum 184.79 ( 6.92% of Recip) | Grad sum 168.86 ( 6.32% of Recip) | FFT back comm time 1383.02 (81.93% of FFT t) | Other 305.04 (18.07% of FFT t) | FFT time 1688.06 (63.21% of Recip) | Other 53.76 ( 2.01% of Recip) | Recip Ewald time 2670.43 (40.32% of Ewald) | Force Adjust 319.19 ( 4.82% of Ewald) | Virial junk 578.60 ( 8.74% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.95 ( 0.01% of Ewald) | Ewald time 6623.79 (77.72% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8522.11 (66.91% of Force) | Bond/Angle/Dihedral 42.50 ( 0.33% of Force) | FRC Collect time 3750.98 (29.45% of Force) | Other 420.36 ( 3.30% of Force) | Force time 12735.96 (65.09% of Runmd) | Shake time 136.12 ( 0.70% of Runmd) | Verlet update time 1059.83 ( 5.42% of Runmd) | Ekcmr time 2833.92 (14.48% of Runmd) | CRD distribute time 2578.16 (13.18% of Runmd) | Other 223.15 ( 1.14% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 1087.26 (56.98% of List ) | Other 821.05 (43.02% of List ) | List time 1908.31 (22.34% of Nonbo) | Short_ene time 1840.00 (60.59% of Direc) | Other 1196.71 (39.41% of Direc) | Direct Ewald time 3036.71 (45.78% of Ewald) | Adjust Ewald time 26.12 ( 0.39% of Ewald) | Fill Bspline coeffs 423.62 (15.82% of Recip) | Fill charge grid 82.19 ( 3.07% of Recip) | Scalar sum 93.25 ( 3.48% of Recip) | Grad sum 129.16 ( 4.82% of Recip) | FFT back comm time 1384.53 (75.94% of FFT t) | Other 438.58 (24.06% of FFT t) | FFT time 1823.11 (68.10% of Recip) | Other 125.79 ( 4.70% of Recip) | Recip Ewald time 2677.13 (40.36% of Ewald) | Force Adjust 316.92 ( 4.78% of Ewald) | Virial junk 575.06 ( 8.67% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6633.58 (77.65% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8542.96 (67.07% of Force) | Bond/Angle/Dihedral 40.83 ( 0.32% of Force) | FRC Collect time 3750.17 (29.44% of Force) | Other 403.56 ( 3.17% of Force) | Force time 12737.52 (65.10% of Runmd) | Shake time 133.76 ( 0.68% of Runmd) | Verlet update time 1047.85 ( 5.36% of Runmd) | Ekcmr time 3005.25 (15.36% of Runmd) | CRD distribute time 2428.35 (12.41% of Runmd) | Other 214.42 ( 1.10% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 1086.00 (56.74% of List ) | Other 828.12 (43.26% of List ) | List time 1914.12 (22.42% of Nonbo) | Short_ene time 1750.30 (58.90% of Direc) | Other 1221.18 (41.10% of Direc) | Direct Ewald time 2971.48 (44.86% of Ewald) | Adjust Ewald time 25.85 ( 0.39% of Ewald) | Fill Bspline coeffs 415.52 (15.56% of Recip) | Fill charge grid 84.17 ( 3.15% of Recip) | Scalar sum 93.27 ( 3.49% of Recip) | Grad sum 129.26 ( 4.84% of Recip) | FFT back comm time 1385.75 (76.01% of FFT t) | Other 437.35 (23.99% of FFT t) | FFT time 1823.10 (68.27% of Recip) | Other 125.11 ( 4.69% of Recip) | Recip Ewald time 2670.43 (40.32% of Ewald) | Force Adjust 375.03 ( 5.66% of Ewald) | Virial junk 579.16 ( 8.74% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6623.63 (77.57% of Nonbo) | Other 0.88 ( 0.01% of Nonbo) | Nonbond force 8538.77 (67.04% of Force) | Bond/Angle/Dihedral 42.32 ( 0.33% of Force) | FRC Collect time 3749.82 (29.44% of Force) | Other 406.13 ( 3.19% of Force) | Force time 12737.05 (65.09% of Runmd) | Shake time 135.73 ( 0.69% of Runmd) | Verlet update time 1103.50 ( 5.64% of Runmd) | Ekcmr time 2010.26 (10.27% of Runmd) | CRD distribute time 3340.56 (17.07% of Runmd) | Other 240.03 ( 1.23% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 1088.87 (56.86% of List ) | Other 826.08 (43.14% of List ) | List time 1914.94 (22.40% of Nonbo) | Short_ene time 1895.46 (62.10% of Direc) | Other 1156.94 (37.90% of Direc) | Direct Ewald time 3052.39 (46.02% of Ewald) | Adjust Ewald time 25.30 ( 0.38% of Ewald) | Fill Bspline coeffs 412.51 (15.41% of Recip) | Fill charge grid 87.44 ( 3.27% of Recip) | Scalar sum 93.09 ( 3.48% of Recip) | Grad sum 130.68 ( 4.88% of Recip) | FFT back comm time 1391.79 (75.96% of FFT t) | Other 440.55 (24.04% of FFT t) | FFT time 1832.34 (68.43% of Recip) | Other 121.69 ( 4.54% of Recip) | Recip Ewald time 2677.75 (40.37% of Ewald) | Force Adjust 304.98 ( 4.60% of Ewald) | Virial junk 570.41 ( 8.60% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.91 ( 0.01% of Ewald) | Ewald time 6632.50 (77.59% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8548.53 (67.11% of Force) | Bond/Angle/Dihedral 41.88 ( 0.33% of Force) | FRC Collect time 3750.24 (29.44% of Force) | Other 398.01 ( 3.12% of Force) | Force time 12738.65 (65.10% of Runmd) | Shake time 134.54 ( 0.69% of Runmd) | Verlet update time 1060.66 ( 5.42% of Runmd) | Ekcmr time 2815.67 (14.39% of Runmd) | CRD distribute time 2598.04 (13.28% of Runmd) | Other 219.58 ( 1.12% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 1093.18 (57.37% of List ) | Other 812.15 (42.63% of List ) | List time 1905.32 (22.30% of Nonbo) | Short_ene time 1817.11 (60.52% of Direc) | Other 1185.45 (39.48% of Direc) | Direct Ewald time 3002.56 (45.22% of Ewald) | Adjust Ewald time 25.63 ( 0.39% of Ewald) | Fill Bspline coeffs 414.60 (15.43% of Recip) | Fill charge grid 90.47 ( 3.37% of Recip) | Scalar sum 92.84 ( 3.46% of Recip) | Grad sum 129.14 ( 4.81% of Recip) | FFT back comm time 1395.93 (75.95% of FFT t) | Other 442.01 (24.05% of FFT t) | FFT time 1837.94 (68.40% of Recip) | Other 121.98 ( 4.54% of Recip) | Recip Ewald time 2686.97 (40.47% of Ewald) | Force Adjust 346.98 ( 5.23% of Ewald) | Virial junk 575.26 ( 8.66% of Ewald) | Start sycnronization 0.64 ( 0.01% of Ewald) | Other 0.98 ( 0.01% of Ewald) | Ewald time 6639.24 (77.69% of Nonbo) | Other 1.00 ( 0.01% of Nonbo) | Nonbond force 8545.73 (67.09% of Force) | Bond/Angle/Dihedral 42.15 ( 0.33% of Force) | FRC Collect time 3750.02 (29.44% of Force) | Other 399.15 ( 3.13% of Force) | Force time 12737.04 (65.09% of Runmd) | Shake time 133.26 ( 0.68% of Runmd) | Verlet update time 1117.62 ( 5.71% of Runmd) | Ekcmr time 1837.27 ( 9.39% of Runmd) | CRD distribute time 3502.35 (17.90% of Runmd) | Other 239.60 ( 1.22% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 1085.88 (56.68% of List ) | Other 830.03 (43.32% of List ) | List time 1915.91 (22.42% of Nonbo) | Short_ene time 1765.79 (59.06% of Direc) | Other 1224.03 (40.94% of Direc) | Direct Ewald time 2989.82 (45.10% of Ewald) | Adjust Ewald time 25.70 ( 0.39% of Ewald) | Fill Bspline coeffs 416.46 (15.58% of Recip) | Fill charge grid 92.40 ( 3.46% of Recip) | Scalar sum 93.14 ( 3.48% of Recip) | Grad sum 130.60 ( 4.88% of Recip) | FFT back comm time 1399.19 (76.75% of FFT t) | Other 423.76 (23.25% of FFT t) | FFT time 1822.96 (68.18% of Recip) | Other 118.27 ( 4.42% of Recip) | Recip Ewald time 2673.83 (40.33% of Ewald) | Force Adjust 366.37 ( 5.53% of Ewald) | Virial junk 572.18 ( 8.63% of Ewald) | Start sycnronization 0.60 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6629.66 (77.57% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8546.66 (67.09% of Force) | Bond/Angle/Dihedral 41.49 ( 0.33% of Force) | FRC Collect time 3750.41 (29.44% of Force) | Other 401.16 ( 3.15% of Force) | Force time 12739.72 (65.11% of Runmd) | Shake time 135.44 ( 0.69% of Runmd) | Verlet update time 1097.16 ( 5.61% of Runmd) | Ekcmr time 2120.35 (10.84% of Runmd) | CRD distribute time 3231.02 (16.51% of Runmd) | Other 243.47 ( 1.24% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 1092.97 (56.99% of List ) | Other 824.76 (43.01% of List ) | List time 1917.73 (22.43% of Nonbo) | Short_ene time 1922.35 (61.80% of Direc) | Other 1188.17 (38.20% of Direc) | Direct Ewald time 3110.53 (46.90% of Ewald) | Adjust Ewald time 22.67 ( 0.34% of Ewald) | Fill Bspline coeffs 408.40 (15.24% of Recip) | Fill charge grid 88.99 ( 3.32% of Recip) | Scalar sum 92.82 ( 3.46% of Recip) | Grad sum 130.12 ( 4.86% of Recip) | FFT back comm time 1403.50 (76.20% of FFT t) | Other 438.27 (23.80% of FFT t) | FFT time 1841.77 (68.74% of Recip) | Other 117.26 ( 4.38% of Recip) | Recip Ewald time 2679.37 (40.40% of Ewald) | Force Adjust 240.54 ( 3.63% of Ewald) | Virial junk 578.00 ( 8.71% of Ewald) | Start sycnronization 0.59 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6632.82 (77.56% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8551.61 (67.13% of Force) | Bond/Angle/Dihedral 41.89 ( 0.33% of Force) | FRC Collect time 3749.89 (29.44% of Force) | Other 395.11 ( 3.10% of Force) | Force time 12738.49 (65.10% of Runmd) | Shake time 135.99 ( 0.69% of Runmd) | Verlet update time 1109.84 ( 5.67% of Runmd) | Ekcmr time 1813.16 ( 9.27% of Runmd) | CRD distribute time 3511.71 (17.95% of Runmd) | Other 257.95 ( 1.32% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 32 | Build the list 1080.74 (56.67% of List ) | Other 826.21 (43.33% of List ) | List time 1906.95 (22.33% of Nonbo) | Short_ene time 1789.02 (59.92% of Direc) | Other 1196.72 (40.08% of Direc) | Direct Ewald time 2985.73 (45.03% of Ewald) | Adjust Ewald time 23.34 ( 0.35% of Ewald) | Fill Bspline coeffs 413.95 (15.46% of Recip) | Fill charge grid 80.46 ( 3.01% of Recip) | Scalar sum 93.33 ( 3.49% of Recip) | Grad sum 129.22 ( 4.83% of Recip) | FFT back comm time 1394.54 (75.94% of FFT t) | Other 441.82 (24.06% of FFT t) | FFT time 1836.36 (68.59% of Recip) | Other 123.99 ( 4.63% of Recip) | Recip Ewald time 2677.31 (40.38% of Ewald) | Force Adjust 369.52 ( 5.57% of Ewald) | Virial junk 572.82 ( 8.64% of Ewald) | Start sycnronization 0.59 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6630.48 (77.65% of Nonbo) | Other 0.90 ( 0.01% of Nonbo) | Nonbond force 8538.49 (68.98% of Force) | Bond/Angle/Dihedral 41.82 ( 0.34% of Force) | FRC Collect time 3389.84 (27.39% of Force) | Other 407.89 ( 3.30% of Force) | Force time 12378.03 (63.26% of Runmd) | Shake time 134.87 ( 0.69% of Runmd) | Verlet update time 1396.17 ( 7.14% of Runmd) | Ekcmr time 3116.40 (15.93% of Runmd) | CRD distribute time 2322.49 (11.87% of Runmd) | Other 219.19 ( 1.12% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 33 | Build the list 1082.08 (56.60% of List ) | Other 829.60 (43.40% of List ) | List time 1911.68 (22.43% of Nonbo) | Short_ene time 1767.92 (59.35% of Direc) | Other 1211.09 (40.65% of Direc) | Direct Ewald time 2979.01 (45.06% of Ewald) | Adjust Ewald time 23.38 ( 0.35% of Ewald) | Fill Bspline coeffs 419.32 (15.76% of Recip) | Fill charge grid 75.10 ( 2.82% of Recip) | Scalar sum 93.30 ( 3.51% of Recip) | Grad sum 130.81 ( 4.92% of Recip) | FFT back comm time 1396.77 (76.67% of FFT t) | Other 425.01 (23.33% of FFT t) | FFT time 1821.78 (68.47% of Recip) | Other 120.46 ( 4.53% of Recip) | Recip Ewald time 2660.78 (40.24% of Ewald) | Force Adjust 370.41 ( 5.60% of Ewald) | Virial junk 576.37 ( 8.72% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6611.57 (77.56% of Nonbo) | Other 0.77 ( 0.01% of Nonbo) | Nonbond force 8524.16 (68.87% of Force) | Bond/Angle/Dihedral 42.56 ( 0.34% of Force) | FRC Collect time 3389.87 (27.39% of Force) | Other 420.05 ( 3.39% of Force) | Force time 12376.64 (63.25% of Runmd) | Shake time 135.40 ( 0.69% of Runmd) | Verlet update time 1445.58 ( 7.39% of Runmd) | Ekcmr time 2525.42 (12.91% of Runmd) | CRD distribute time 2836.76 (14.50% of Runmd) | Other 247.34 ( 1.26% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 34 | Build the list 1097.61 (57.70% of List ) | Other 804.75 (42.30% of List ) | List time 1902.35 (22.25% of Nonbo) | Short_ene time 1858.84 (61.24% of Direc) | Other 1176.39 (38.76% of Direc) | Direct Ewald time 3035.23 (45.68% of Ewald) | Adjust Ewald time 22.70 ( 0.34% of Ewald) | Fill Bspline coeffs 410.19 (15.24% of Recip) | Fill charge grid 85.53 ( 3.18% of Recip) | Scalar sum 93.21 ( 3.46% of Recip) | Grad sum 131.36 ( 4.88% of Recip) | FFT back comm time 1399.37 (75.52% of FFT t) | Other 453.68 (24.48% of FFT t) | FFT time 1853.05 (68.84% of Recip) | Other 118.60 ( 4.41% of Recip) | Recip Ewald time 2691.95 (40.51% of Ewald) | Force Adjust 319.25 ( 4.80% of Ewald) | Virial junk 573.96 ( 8.64% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 1.00 ( 0.02% of Ewald) | Ewald time 6644.96 (77.73% of Nonbo) | Other 0.97 ( 0.01% of Nonbo) | Nonbond force 8548.45 (69.06% of Force) | Bond/Angle/Dihedral 42.38 ( 0.34% of Force) | FRC Collect time 3389.14 (27.38% of Force) | Other 398.32 ( 3.22% of Force) | Force time 12378.29 (63.26% of Runmd) | Shake time 133.79 ( 0.68% of Runmd) | Verlet update time 1430.15 ( 7.31% of Runmd) | Ekcmr time 2766.34 (14.14% of Runmd) | CRD distribute time 2625.86 (13.42% of Runmd) | Other 232.70 ( 1.19% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 35 | Build the list 1087.90 (56.80% of List ) | Other 827.32 (43.20% of List ) | List time 1915.22 (22.40% of Nonbo) | Short_ene time 1777.13 (59.64% of Direc) | Other 1202.62 (40.36% of Direc) | Direct Ewald time 2979.75 (44.92% of Ewald) | Adjust Ewald time 23.24 ( 0.35% of Ewald) | Fill Bspline coeffs 415.75 (15.50% of Recip) | Fill charge grid 81.36 ( 3.03% of Recip) | Scalar sum 93.14 ( 3.47% of Recip) | Grad sum 130.36 ( 4.86% of Recip) | FFT back comm time 1401.93 (76.02% of FFT t) | Other 442.29 (23.98% of FFT t) | FFT time 1844.22 (68.74% of Recip) | Other 117.90 ( 4.39% of Recip) | Recip Ewald time 2682.73 (40.44% of Ewald) | Force Adjust 367.00 ( 5.53% of Ewald) | Virial junk 579.08 ( 8.73% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.91 ( 0.01% of Ewald) | Ewald time 6633.47 (77.59% of Nonbo) | Other 0.81 ( 0.01% of Nonbo) | Nonbond force 8549.65 (69.07% of Force) | Bond/Angle/Dihedral 42.80 ( 0.35% of Force) | FRC Collect time 3388.89 (27.38% of Force) | Other 396.73 ( 3.21% of Force) | Force time 12378.08 (63.26% of Runmd) | Shake time 134.94 ( 0.69% of Runmd) | Verlet update time 1483.77 ( 7.58% of Runmd) | Ekcmr time 2087.20 (10.67% of Runmd) | CRD distribute time 3214.12 (16.43% of Runmd) | Other 269.03 ( 1.37% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 36 | Build the list 1099.59 (58.01% of List ) | Other 796.09 (41.99% of List ) | List time 1895.67 (22.16% of Nonbo) | Short_ene time 1785.95 (59.51% of Direc) | Other 1215.16 (40.49% of Direc) | Direct Ewald time 3001.11 (45.07% of Ewald) | Adjust Ewald time 23.24 ( 0.35% of Ewald) | Fill Bspline coeffs 421.13 (15.56% of Recip) | Fill charge grid 87.92 ( 3.25% of Recip) | Scalar sum 92.85 ( 3.43% of Recip) | Grad sum 133.53 ( 4.93% of Recip) | FFT back comm time 1409.80 (75.81% of FFT t) | Other 449.74 (24.19% of FFT t) | FFT time 1859.54 (68.71% of Recip) | Other 111.39 ( 4.12% of Recip) | Recip Ewald time 2706.36 (40.64% of Ewald) | Force Adjust 359.58 ( 5.40% of Ewald) | Virial junk 566.73 ( 8.51% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 1.07 ( 0.02% of Ewald) | Ewald time 6659.03 (77.83% of Nonbo) | Other 0.89 ( 0.01% of Nonbo) | Nonbond force 8555.78 (69.11% of Force) | Bond/Angle/Dihedral 42.35 ( 0.34% of Force) | FRC Collect time 3389.03 (27.38% of Force) | Other 391.90 ( 3.17% of Force) | Force time 12379.06 (63.26% of Runmd) | Shake time 135.64 ( 0.69% of Runmd) | Verlet update time 1446.96 ( 7.39% of Runmd) | Ekcmr time 2530.78 (12.93% of Runmd) | CRD distribute time 2825.19 (14.44% of Runmd) | Other 249.52 ( 1.28% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 37 | Build the list 1088.42 (57.03% of List ) | Other 820.13 (42.97% of List ) | List time 1908.55 (22.38% of Nonbo) | Short_ene time 1804.96 (60.19% of Direc) | Other 1193.57 (39.81% of Direc) | Direct Ewald time 2998.53 (45.31% of Ewald) | Adjust Ewald time 23.15 ( 0.35% of Ewald) | Fill Bspline coeffs 408.89 (15.33% of Recip) | Fill charge grid 78.31 ( 2.94% of Recip) | Scalar sum 92.74 ( 3.48% of Recip) | Grad sum 131.44 ( 4.93% of Recip) | FFT back comm time 1410.51 (76.52% of FFT t) | Other 432.80 (23.48% of FFT t) | FFT time 1843.31 (69.11% of Recip) | Other 112.69 ( 4.22% of Recip) | Recip Ewald time 2667.38 (40.31% of Ewald) | Force Adjust 354.53 ( 5.36% of Ewald) | Virial junk 572.09 ( 8.65% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.87 ( 0.01% of Ewald) | Ewald time 6617.22 (77.61% of Nonbo) | Other 0.84 ( 0.01% of Nonbo) | Nonbond force 8526.75 (68.89% of Force) | Bond/Angle/Dihedral 43.00 ( 0.35% of Force) | FRC Collect time 3388.68 (27.38% of Force) | Other 418.69 ( 3.38% of Force) | Force time 12377.11 (63.25% of Runmd) | Shake time 135.41 ( 0.69% of Runmd) | Verlet update time 1494.35 ( 7.64% of Runmd) | Ekcmr time 1866.18 ( 9.54% of Runmd) | CRD distribute time 3429.34 (17.53% of Runmd) | Other 264.75 ( 1.35% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 38 | Build the list 1084.20 (56.32% of List ) | Other 840.75 (43.68% of List ) | List time 1924.96 (22.51% of Nonbo) | Short_ene time 1800.74 (60.29% of Direc) | Other 1185.84 (39.71% of Direc) | Direct Ewald time 2986.57 (45.07% of Ewald) | Adjust Ewald time 23.27 ( 0.35% of Ewald) | Fill Bspline coeffs 414.01 (15.49% of Recip) | Fill charge grid 80.43 ( 3.01% of Recip) | Scalar sum 92.55 ( 3.46% of Recip) | Grad sum 131.88 ( 4.93% of Recip) | FFT back comm time 1411.48 (76.64% of FFT t) | Other 430.27 (23.36% of FFT t) | FFT time 1841.74 (68.91% of Recip) | Other 112.11 ( 4.19% of Recip) | Recip Ewald time 2672.72 (40.34% of Ewald) | Force Adjust 370.57 ( 5.59% of Ewald) | Virial junk 571.49 ( 8.62% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.87 ( 0.01% of Ewald) | Ewald time 6626.19 (77.48% of Nonbo) | Other 0.94 ( 0.01% of Nonbo) | Nonbond force 8552.23 (69.08% of Force) | Bond/Angle/Dihedral 42.17 ( 0.34% of Force) | FRC Collect time 3390.07 (27.38% of Force) | Other 395.97 ( 3.20% of Force) | Force time 12380.45 (63.27% of Runmd) | Shake time 133.89 ( 0.68% of Runmd) | Verlet update time 1512.91 ( 7.73% of Runmd) | Ekcmr time 1800.83 ( 9.20% of Runmd) | CRD distribute time 3472.69 (17.75% of Runmd) | Other 266.37 ( 1.36% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 39 | Build the list 1087.92 (57.26% of List ) | Other 812.17 (42.74% of List ) | List time 1900.09 (22.24% of Nonbo) | Short_ene time 1770.80 (59.34% of Direc) | Other 1213.31 (40.66% of Direc) | Direct Ewald time 2984.11 (44.92% of Ewald) | Adjust Ewald time 23.24 ( 0.35% of Ewald) | Fill Bspline coeffs 409.24 (15.20% of Recip) | Fill charge grid 86.74 ( 3.22% of Recip) | Scalar sum 92.65 ( 3.44% of Recip) | Grad sum 132.92 ( 4.94% of Recip) | FFT back comm time 1413.45 (76.00% of FFT t) | Other 446.24 (24.00% of FFT t) | FFT time 1859.69 (69.08% of Recip) | Other 110.96 ( 4.12% of Recip) | Recip Ewald time 2692.20 (40.53% of Ewald) | Force Adjust 364.58 ( 5.49% of Ewald) | Virial junk 576.95 ( 8.69% of Ewald) | Start sycnronization 0.67 ( 0.01% of Ewald) | Other 1.00 ( 0.02% of Ewald) | Ewald time 6642.95 (77.75% of Nonbo) | Other 0.92 ( 0.01% of Nonbo) | Nonbond force 8544.13 (69.01% of Force) | Bond/Angle/Dihedral 42.74 ( 0.35% of Force) | FRC Collect time 3389.61 (27.38% of Force) | Other 403.86 ( 3.26% of Force) | Force time 12380.34 (63.27% of Runmd) | Shake time 134.69 ( 0.69% of Runmd) | Verlet update time 1507.33 ( 7.70% of Runmd) | Ekcmr time 1812.94 ( 9.27% of Runmd) | CRD distribute time 3448.14 (17.62% of Runmd) | Other 283.71 ( 1.45% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.32 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 40 | Build the list 1091.81 (57.36% of List ) | Other 811.58 (42.64% of List ) | List time 1903.39 (22.28% of Nonbo) | Short_ene time 1774.86 (59.76% of Direc) | Other 1194.88 (40.24% of Direc) | Direct Ewald time 2969.74 (44.73% of Ewald) | Adjust Ewald time 23.33 ( 0.35% of Ewald) | Fill Bspline coeffs 419.90 (15.63% of Recip) | Fill charge grid 81.11 ( 3.02% of Recip) | Scalar sum 93.28 ( 3.47% of Recip) | Grad sum 130.89 ( 4.87% of Recip) | FFT back comm time 1405.67 (76.23% of FFT t) | Other 438.22 (23.77% of FFT t) | FFT time 1843.89 (68.64% of Recip) | Other 117.27 ( 4.37% of Recip) | Recip Ewald time 2686.34 (40.46% of Ewald) | Force Adjust 386.69 ( 5.82% of Ewald) | Virial junk 571.19 ( 8.60% of Ewald) | Start sycnronization 0.56 ( 0.01% of Ewald) | Other 0.95 ( 0.01% of Ewald) | Ewald time 6639.01 (77.71% of Nonbo) | Other 0.92 ( 0.01% of Nonbo) | Nonbond force 8543.48 (69.02% of Force) | Bond/Angle/Dihedral 42.13 ( 0.34% of Force) | FRC Collect time 3391.56 (27.40% of Force) | Other 400.65 ( 3.24% of Force) | Force time 12377.81 (63.26% of Runmd) | Shake time 134.49 ( 0.69% of Runmd) | Verlet update time 1360.68 ( 6.95% of Runmd) | Ekcmr time 3659.25 (18.70% of Runmd) | CRD distribute time 1866.39 ( 9.54% of Runmd) | Other 168.52 ( 0.86% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 41 | Build the list 1086.17 (57.32% of List ) | Other 808.91 (42.68% of List ) | List time 1895.08 (22.21% of Nonbo) | Short_ene time 1777.66 (60.33% of Direc) | Other 1169.03 (39.67% of Direc) | Direct Ewald time 2946.69 (44.40% of Ewald) | Adjust Ewald time 23.43 ( 0.35% of Ewald) | Fill Bspline coeffs 420.01 (15.63% of Recip) | Fill charge grid 81.59 ( 3.04% of Recip) | Scalar sum 93.26 ( 3.47% of Recip) | Grad sum 130.76 ( 4.87% of Recip) | FFT back comm time 1404.57 (76.12% of FFT t) | Other 440.58 (23.88% of FFT t) | FFT time 1845.15 (68.66% of Recip) | Other 116.74 ( 4.34% of Recip) | Recip Ewald time 2687.52 (40.49% of Ewald) | Force Adjust 402.87 ( 6.07% of Ewald) | Virial junk 574.51 ( 8.66% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.98 ( 0.01% of Ewald) | Ewald time 6636.80 (77.78% of Nonbo) | Other 0.92 ( 0.01% of Nonbo) | Nonbond force 8532.95 (68.94% of Force) | Bond/Angle/Dihedral 42.84 ( 0.35% of Force) | FRC Collect time 3391.69 (27.40% of Force) | Other 409.11 ( 3.31% of Force) | Force time 12376.60 (63.25% of Runmd) | Shake time 134.88 ( 0.69% of Runmd) | Verlet update time 1441.17 ( 7.37% of Runmd) | Ekcmr time 2701.52 (13.81% of Runmd) | CRD distribute time 2664.12 (13.62% of Runmd) | Other 248.86 ( 1.27% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 42 | Build the list 1088.52 (56.73% of List ) | Other 830.12 (43.27% of List ) | List time 1918.63 (22.45% of Nonbo) | Short_ene time 1816.58 (60.49% of Direc) | Other 1186.62 (39.51% of Direc) | Direct Ewald time 3003.20 (45.32% of Ewald) | Adjust Ewald time 23.21 ( 0.35% of Ewald) | Fill Bspline coeffs 421.63 (15.76% of Recip) | Fill charge grid 80.86 ( 3.02% of Recip) | Scalar sum 93.24 ( 3.49% of Recip) | Grad sum 130.48 ( 4.88% of Recip) | FFT back comm time 1406.23 (76.72% of FFT t) | Other 426.68 (23.28% of FFT t) | FFT time 1832.91 (68.51% of Recip) | Other 116.16 ( 4.34% of Recip) | Recip Ewald time 2675.28 (40.37% of Ewald) | Force Adjust 352.18 ( 5.31% of Ewald) | Virial junk 571.47 ( 8.62% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.91 ( 0.01% of Ewald) | Ewald time 6626.96 (77.54% of Nonbo) | Other 0.90 ( 0.01% of Nonbo) | Nonbond force 8546.63 (69.04% of Force) | Bond/Angle/Dihedral 42.58 ( 0.34% of Force) | FRC Collect time 3391.76 (27.40% of Force) | Other 397.83 ( 3.21% of Force) | Force time 12378.80 (63.26% of Runmd) | Shake time 134.68 ( 0.69% of Runmd) | Verlet update time 1410.89 ( 7.21% of Runmd) | Ekcmr time 2997.24 (15.32% of Runmd) | CRD distribute time 2422.54 (12.38% of Runmd) | Other 222.99 ( 1.14% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 43 | Build the list 1086.70 (56.66% of List ) | Other 831.24 (43.34% of List ) | List time 1917.94 (22.46% of Nonbo) | Short_ene time 1780.59 (60.05% of Direc) | Other 1184.53 (39.95% of Direc) | Direct Ewald time 2965.12 (44.78% of Ewald) | Adjust Ewald time 23.24 ( 0.35% of Ewald) | Fill Bspline coeffs 411.50 (15.39% of Recip) | Fill charge grid 78.22 ( 2.93% of Recip) | Scalar sum 93.05 ( 3.48% of Recip) | Grad sum 130.14 ( 4.87% of Recip) | FFT back comm time 1407.99 (76.30% of FFT t) | Other 437.38 (23.70% of FFT t) | FFT time 1845.37 (69.02% of Recip) | Other 115.57 ( 4.32% of Recip) | Recip Ewald time 2673.84 (40.38% of Ewald) | Force Adjust 381.31 ( 5.76% of Ewald) | Virial junk 577.12 ( 8.71% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6622.24 (77.53% of Nonbo) | Other 0.87 ( 0.01% of Nonbo) | Nonbond force 8541.18 (69.00% of Force) | Bond/Angle/Dihedral 42.65 ( 0.34% of Force) | FRC Collect time 3391.53 (27.40% of Force) | Other 403.69 ( 3.26% of Force) | Force time 12379.05 (63.26% of Runmd) | Shake time 134.48 ( 0.69% of Runmd) | Verlet update time 1487.68 ( 7.60% of Runmd) | Ekcmr time 2126.87 (10.87% of Runmd) | CRD distribute time 3157.96 (16.14% of Runmd) | Other 281.10 ( 1.44% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 44 | Build the list 1091.74 (57.26% of List ) | Other 814.99 (42.74% of List ) | List time 1906.73 (22.31% of Nonbo) | Short_ene time 1756.17 (59.18% of Direc) | Other 1211.31 (40.82% of Direc) | Direct Ewald time 2967.48 (44.70% of Ewald) | Adjust Ewald time 23.34 ( 0.35% of Ewald) | Fill Bspline coeffs 416.27 (15.49% of Recip) | Fill charge grid 83.79 ( 3.12% of Recip) | Scalar sum 92.80 ( 3.45% of Recip) | Grad sum 131.58 ( 4.90% of Recip) | FFT back comm time 1413.01 (76.38% of FFT t) | Other 436.92 (23.62% of FFT t) | FFT time 1849.93 (68.84% of Recip) | Other 113.10 ( 4.21% of Recip) | Recip Ewald time 2687.46 (40.48% of Ewald) | Force Adjust 391.31 ( 5.89% of Ewald) | Virial junk 567.17 ( 8.54% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 1.02 ( 0.02% of Ewald) | Ewald time 6638.70 (77.68% of Nonbo) | Other 0.99 ( 0.01% of Nonbo) | Nonbond force 8546.59 (69.04% of Force) | Bond/Angle/Dihedral 42.79 ( 0.35% of Force) | FRC Collect time 3391.80 (27.40% of Force) | Other 398.65 ( 3.22% of Force) | Force time 12379.83 (63.27% of Runmd) | Shake time 134.95 ( 0.69% of Runmd) | Verlet update time 1426.46 ( 7.29% of Runmd) | Ekcmr time 2770.90 (14.16% of Runmd) | CRD distribute time 2618.29 (13.38% of Runmd) | Other 236.71 ( 1.21% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 45 | Build the list 1094.67 (57.63% of List ) | Other 804.86 (42.37% of List ) | List time 1899.53 (22.23% of Nonbo) | Short_ene time 1845.43 (60.80% of Direc) | Other 1189.80 (39.20% of Direc) | Direct Ewald time 3035.23 (45.68% of Ewald) | Adjust Ewald time 22.76 ( 0.34% of Ewald) | Fill Bspline coeffs 414.46 (15.37% of Recip) | Fill charge grid 88.10 ( 3.27% of Recip) | Scalar sum 92.82 ( 3.44% of Recip) | Grad sum 131.99 ( 4.90% of Recip) | FFT back comm time 1415.83 (76.22% of FFT t) | Other 441.81 (23.78% of FFT t) | FFT time 1857.64 (68.91% of Recip) | Other 110.90 ( 4.11% of Recip) | Recip Ewald time 2695.92 (40.57% of Ewald) | Force Adjust 313.73 ( 4.72% of Ewald) | Virial junk 575.09 ( 8.66% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 0.98 ( 0.01% of Ewald) | Ewald time 6644.54 (77.76% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8545.19 (69.03% of Force) | Bond/Angle/Dihedral 43.12 ( 0.35% of Force) | FRC Collect time 3391.46 (27.40% of Force) | Other 398.86 ( 3.22% of Force) | Force time 12378.62 (63.26% of Runmd) | Shake time 134.72 ( 0.69% of Runmd) | Verlet update time 1551.07 ( 7.93% of Runmd) | Ekcmr time 1826.99 ( 9.34% of Runmd) | CRD distribute time 3412.88 (17.44% of Runmd) | Other 262.86 ( 1.34% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 46 | Build the list 1080.48 (55.90% of List ) | Other 852.44 (44.10% of List ) | List time 1932.92 (22.59% of Nonbo) | Short_ene time 1781.38 (59.70% of Direc) | Other 1202.48 (40.30% of Direc) | Direct Ewald time 2983.86 (45.06% of Ewald) | Adjust Ewald time 23.14 ( 0.35% of Ewald) | Fill Bspline coeffs 418.54 (15.67% of Recip) | Fill charge grid 79.45 ( 2.98% of Recip) | Scalar sum 92.64 ( 3.47% of Recip) | Grad sum 132.31 ( 4.95% of Recip) | FFT back comm time 1415.89 (77.08% of FFT t) | Other 420.99 (22.92% of FFT t) | FFT time 1836.88 (68.78% of Recip) | Other 110.68 ( 4.14% of Recip) | Recip Ewald time 2670.51 (40.33% of Ewald) | Force Adjust 371.52 ( 5.61% of Ewald) | Virial junk 570.94 ( 8.62% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.92 ( 0.01% of Ewald) | Ewald time 6621.61 (77.40% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8555.59 (69.10% of Force) | Bond/Angle/Dihedral 42.59 ( 0.34% of Force) | FRC Collect time 3391.29 (27.39% of Force) | Other 391.36 ( 3.16% of Force) | Force time 12380.83 (63.27% of Runmd) | Shake time 134.86 ( 0.69% of Runmd) | Verlet update time 1482.81 ( 7.58% of Runmd) | Ekcmr time 2156.74 (11.02% of Runmd) | CRD distribute time 3135.23 (16.02% of Runmd) | Other 276.68 ( 1.41% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 47 | Build the list 1089.89 (56.80% of List ) | Other 829.01 (43.20% of List ) | List time 1918.90 (22.46% of Nonbo) | Short_ene time 1769.60 (59.57% of Direc) | Other 1200.82 (40.43% of Direc) | Direct Ewald time 2970.42 (44.84% of Ewald) | Adjust Ewald time 23.32 ( 0.35% of Ewald) | Fill Bspline coeffs 404.03 (15.10% of Recip) | Fill charge grid 83.55 ( 3.12% of Recip) | Scalar sum 92.61 ( 3.46% of Recip) | Grad sum 130.03 ( 4.86% of Recip) | FFT back comm time 1416.76 (76.40% of FFT t) | Other 437.57 (23.60% of FFT t) | FFT time 1854.33 (69.28% of Recip) | Other 112.00 ( 4.18% of Recip) | Recip Ewald time 2676.54 (40.41% of Ewald) | Force Adjust 377.31 ( 5.70% of Ewald) | Virial junk 574.94 ( 8.68% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.88 ( 0.01% of Ewald) | Ewald time 6624.11 (77.53% of Nonbo) | Other 0.85 ( 0.01% of Nonbo) | Nonbond force 8544.01 (69.01% of Force) | Bond/Angle/Dihedral 43.00 ( 0.35% of Force) | FRC Collect time 3391.20 (27.39% of Force) | Other 401.75 ( 3.25% of Force) | Force time 12379.97 (63.27% of Runmd) | Shake time 135.11 ( 0.69% of Runmd) | Verlet update time 1515.76 ( 7.75% of Runmd) | Ekcmr time 1772.13 ( 9.06% of Runmd) | CRD distribute time 3519.38 (17.99% of Runmd) | Other 244.81 ( 1.25% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.48 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 48 | Build the list 1086.64 (56.87% of List ) | Other 824.05 (43.13% of List ) | List time 1910.68 (22.36% of Nonbo) | Short_ene time 1889.80 (61.17% of Direc) | Other 1199.74 (38.83% of Direc) | Direct Ewald time 3089.54 (46.57% of Ewald) | Adjust Ewald time 22.82 ( 0.34% of Ewald) | Fill Bspline coeffs 422.33 (15.75% of Recip) | Fill charge grid 78.59 ( 2.93% of Recip) | Scalar sum 93.32 ( 3.48% of Recip) | Grad sum 127.36 ( 4.75% of Recip) | FFT back comm time 1411.19 (76.49% of FFT t) | Other 433.71 (23.51% of FFT t) | FFT time 1844.89 (68.81% of Recip) | Other 114.71 ( 4.28% of Recip) | Recip Ewald time 2681.20 (40.41% of Ewald) | Force Adjust 263.06 ( 3.96% of Ewald) | Virial junk 576.28 ( 8.69% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6634.50 (77.63% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8546.25 (69.04% of Force) | Bond/Angle/Dihedral 42.36 ( 0.34% of Force) | FRC Collect time 3392.33 (27.41% of Force) | Other 397.49 ( 3.21% of Force) | Force time 12378.43 (63.26% of Runmd) | Shake time 134.61 ( 0.69% of Runmd) | Verlet update time 1396.94 ( 7.14% of Runmd) | Ekcmr time 3346.62 (17.10% of Runmd) | CRD distribute time 2103.76 (10.75% of Runmd) | Other 206.78 ( 1.06% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 49 | Build the list 1083.55 (56.68% of List ) | Other 828.07 (43.32% of List ) | List time 1911.62 (22.40% of Nonbo) | Short_ene time 1862.85 (61.10% of Direc) | Other 1185.77 (38.90% of Direc) | Direct Ewald time 3048.62 (46.05% of Ewald) | Adjust Ewald time 23.08 ( 0.35% of Ewald) | Fill Bspline coeffs 419.33 (15.72% of Recip) | Fill charge grid 78.82 ( 2.95% of Recip) | Scalar sum 93.31 ( 3.50% of Recip) | Grad sum 130.39 ( 4.89% of Recip) | FFT back comm time 1413.26 (76.98% of FFT t) | Other 422.65 (23.02% of FFT t) | FFT time 1835.91 (68.81% of Recip) | Other 110.48 ( 4.14% of Recip) | Recip Ewald time 2668.24 (40.31% of Ewald) | Force Adjust 298.23 ( 4.51% of Ewald) | Virial junk 579.94 ( 8.76% of Ewald) | Start sycnronization 0.54 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6619.80 (77.58% of Nonbo) | Other 0.85 ( 0.01% of Nonbo) | Nonbond force 8532.42 (68.94% of Force) | Bond/Angle/Dihedral 42.47 ( 0.34% of Force) | FRC Collect time 3392.51 (27.41% of Force) | Other 409.53 ( 3.31% of Force) | Force time 12376.94 (63.25% of Runmd) | Shake time 135.58 ( 0.69% of Runmd) | Verlet update time 1460.04 ( 7.46% of Runmd) | Ekcmr time 2560.38 (13.09% of Runmd) | CRD distribute time 2769.05 (14.15% of Runmd) | Other 265.14 ( 1.36% of Runmd) | Runmd Time 19567.13 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 50 | Build the list 1088.74 (56.82% of List ) | Other 827.23 (43.18% of List ) | List time 1915.97 (22.41% of Nonbo) | Short_ene time 1751.20 (59.20% of Direc) | Other 1207.04 (40.80% of Direc) | Direct Ewald time 2958.23 (44.60% of Ewald) | Adjust Ewald time 23.50 ( 0.35% of Ewald) | Fill Bspline coeffs 422.40 (15.77% of Recip) | Fill charge grid 80.51 ( 3.01% of Recip) | Scalar sum 93.10 ( 3.48% of Recip) | Grad sum 128.76 ( 4.81% of Recip) | FFT back comm time 1414.31 (76.78% of FFT t) | Other 427.62 (23.22% of FFT t) | FFT time 1841.93 (68.76% of Recip) | Other 112.11 ( 4.19% of Recip) | Recip Ewald time 2678.82 (40.39% of Ewald) | Force Adjust 397.01 ( 5.99% of Ewald) | Virial junk 573.08 ( 8.64% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6632.44 (77.58% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8549.51 (69.07% of Force) | Bond/Angle/Dihedral 42.35 ( 0.34% of Force) | FRC Collect time 3391.81 (27.40% of Force) | Other 394.48 ( 3.19% of Force) | Force time 12378.15 (63.26% of Runmd) | Shake time 135.81 ( 0.69% of Runmd) | Verlet update time 1430.58 ( 7.31% of Runmd) | Ekcmr time 2895.11 (14.80% of Runmd) | CRD distribute time 2494.30 (12.75% of Runmd) | Other 233.19 ( 1.19% of Runmd) | Runmd Time 19567.13 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 51 | Build the list 1092.70 (57.27% of List ) | Other 815.40 (42.73% of List ) | List time 1908.11 (22.33% of Nonbo) | Short_ene time 1870.78 (61.42% of Direc) | Other 1174.87 (38.58% of Direc) | Direct Ewald time 3045.64 (45.90% of Ewald) | Adjust Ewald time 23.19 ( 0.35% of Ewald) | Fill Bspline coeffs 420.66 (15.66% of Recip) | Fill charge grid 80.13 ( 2.98% of Recip) | Scalar sum 93.13 ( 3.47% of Recip) | Grad sum 128.49 ( 4.78% of Recip) | FFT back comm time 1415.65 (76.48% of FFT t) | Other 435.45 (23.52% of FFT t) | FFT time 1851.09 (68.93% of Recip) | Other 111.90 ( 4.17% of Recip) | Recip Ewald time 2685.40 (40.47% of Ewald) | Force Adjust 297.04 ( 4.48% of Ewald) | Virial junk 583.03 ( 8.79% of Ewald) | Start sycnronization 0.58 ( 0.01% of Ewald) | Other 0.97 ( 0.01% of Ewald) | Ewald time 6636.07 (77.66% of Nonbo) | Other 0.97 ( 0.01% of Nonbo) | Nonbond force 8545.30 (69.03% of Force) | Bond/Angle/Dihedral 42.75 ( 0.35% of Force) | FRC Collect time 3391.58 (27.40% of Force) | Other 399.11 ( 3.22% of Force) | Force time 12378.73 (63.26% of Runmd) | Shake time 135.42 ( 0.69% of Runmd) | Verlet update time 1501.79 ( 7.68% of Runmd) | Ekcmr time 2160.69 (11.04% of Runmd) | CRD distribute time 3110.45 (15.90% of Runmd) | Other 280.06 ( 1.43% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 52 | Build the list 1084.42 (56.41% of List ) | Other 837.86 (43.59% of List ) | List time 1922.29 (22.48% of Nonbo) | Short_ene time 1939.49 (62.60% of Direc) | Other 1158.69 (37.40% of Direc) | Direct Ewald time 3098.18 (46.76% of Ewald) | Adjust Ewald time 22.96 ( 0.35% of Ewald) | Fill Bspline coeffs 421.71 (15.78% of Recip) | Fill charge grid 78.51 ( 2.94% of Recip) | Scalar sum 92.99 ( 3.48% of Recip) | Grad sum 130.01 ( 4.86% of Recip) | FFT back comm time 1418.43 (77.07% of FFT t) | Other 422.10 (22.93% of FFT t) | FFT time 1840.54 (68.86% of Recip) | Other 109.12 ( 4.08% of Recip) | Recip Ewald time 2672.89 (40.34% of Ewald) | Force Adjust 260.19 ( 3.93% of Ewald) | Virial junk 570.27 ( 8.61% of Ewald) | Start sycnronization 0.56 ( 0.01% of Ewald) | Other 0.91 ( 0.01% of Ewald) | Ewald time 6626.16 (77.50% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8549.51 (69.06% of Force) | Bond/Angle/Dihedral 42.32 ( 0.34% of Force) | FRC Collect time 3392.49 (27.40% of Force) | Other 395.80 ( 3.20% of Force) | Force time 12380.13 (63.27% of Runmd) | Shake time 134.59 ( 0.69% of Runmd) | Verlet update time 1454.48 ( 7.43% of Runmd) | Ekcmr time 2670.53 (13.65% of Runmd) | CRD distribute time 2667.08 (13.63% of Runmd) | Other 260.33 ( 1.33% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 53 | Build the list 1083.03 (56.42% of List ) | Other 836.65 (43.58% of List ) | List time 1919.68 (22.46% of Nonbo) | Short_ene time 1763.98 (59.57% of Direc) | Other 1197.23 (40.43% of Direc) | Direct Ewald time 2961.21 (44.69% of Ewald) | Adjust Ewald time 23.54 ( 0.36% of Ewald) | Fill Bspline coeffs 422.56 (15.79% of Recip) | Fill charge grid 79.69 ( 2.98% of Recip) | Scalar sum 93.04 ( 3.48% of Recip) | Grad sum 129.62 ( 4.84% of Recip) | FFT back comm time 1420.39 (77.08% of FFT t) | Other 422.39 (22.92% of FFT t) | FFT time 1842.78 (68.86% of Recip) | Other 108.58 ( 4.06% of Recip) | Recip Ewald time 2676.27 (40.39% of Ewald) | Force Adjust 387.78 ( 5.85% of Ewald) | Virial junk 575.99 ( 8.69% of Ewald) | Start sycnronization 0.59 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6626.56 (77.53% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8547.31 (69.05% of Force) | Bond/Angle/Dihedral 43.01 ( 0.35% of Force) | FRC Collect time 3392.03 (27.40% of Force) | Other 396.13 ( 3.20% of Force) | Force time 12378.48 (63.26% of Runmd) | Shake time 135.86 ( 0.69% of Runmd) | Verlet update time 1556.09 ( 7.95% of Runmd) | Ekcmr time 1945.36 ( 9.94% of Runmd) | CRD distribute time 3259.50 (16.66% of Runmd) | Other 291.85 ( 1.49% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 54 | Build the list 1090.78 (57.07% of List ) | Other 820.46 (42.93% of List ) | List time 1911.23 (22.36% of Nonbo) | Short_ene time 1875.85 (61.23% of Direc) | Other 1187.52 (38.77% of Direc) | Direct Ewald time 3063.37 (46.16% of Ewald) | Adjust Ewald time 23.07 ( 0.35% of Ewald) | Fill Bspline coeffs 417.19 (15.55% of Recip) | Fill charge grid 81.62 ( 3.04% of Recip) | Scalar sum 92.62 ( 3.45% of Recip) | Grad sum 129.52 ( 4.83% of Recip) | FFT back comm time 1423.38 (76.79% of FFT t) | Other 430.32 (23.21% of FFT t) | FFT time 1853.70 (69.11% of Recip) | Other 107.47 ( 4.01% of Recip) | Recip Ewald time 2682.11 (40.42% of Ewald) | Force Adjust 290.64 ( 4.38% of Ewald) | Virial junk 574.78 ( 8.66% of Ewald) | Start sycnronization 0.59 ( 0.01% of Ewald) | Other 0.94 ( 0.01% of Ewald) | Ewald time 6635.70 (77.63% of Nonbo) | Other 0.85 ( 0.01% of Nonbo) | Nonbond force 8547.94 (69.04% of Force) | Bond/Angle/Dihedral 42.36 ( 0.34% of Force) | FRC Collect time 3391.84 (27.40% of Force) | Other 398.53 ( 3.22% of Force) | Force time 12380.67 (63.27% of Runmd) | Shake time 134.63 ( 0.69% of Runmd) | Verlet update time 1497.99 ( 7.66% of Runmd) | Ekcmr time 2146.57 (10.97% of Runmd) | CRD distribute time 3130.56 (16.00% of Runmd) | Other 276.71 ( 1.41% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 55 | Build the list 1088.84 (57.15% of List ) | Other 816.51 (42.85% of List ) | List time 1905.35 (22.32% of Nonbo) | Short_ene time 1968.77 (62.29% of Direc) | Other 1191.98 (37.71% of Direc) | Direct Ewald time 3160.75 (47.67% of Ewald) | Adjust Ewald time 22.67 ( 0.34% of Ewald) | Fill Bspline coeffs 419.38 (15.65% of Recip) | Fill charge grid 81.46 ( 3.04% of Recip) | Scalar sum 92.62 ( 3.46% of Recip) | Grad sum 128.66 ( 4.80% of Recip) | FFT back comm time 1423.95 (76.99% of FFT t) | Other 425.63 (23.01% of FFT t) | FFT time 1849.58 (69.02% of Recip) | Other 108.08 ( 4.03% of Recip) | Recip Ewald time 2679.78 (40.42% of Ewald) | Force Adjust 183.58 ( 2.77% of Ewald) | Virial junk 581.67 ( 8.77% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6630.20 (77.67% of Nonbo) | Other 0.85 ( 0.01% of Nonbo) | Nonbond force 8536.55 (68.95% of Force) | Bond/Angle/Dihedral 42.96 ( 0.35% of Force) | FRC Collect time 3391.47 (27.39% of Force) | Other 409.17 ( 3.31% of Force) | Force time 12380.16 (63.27% of Runmd) | Shake time 136.49 ( 0.70% of Runmd) | Verlet update time 1543.59 ( 7.89% of Runmd) | Ekcmr time 1913.68 ( 9.78% of Runmd) | CRD distribute time 3287.86 (16.80% of Runmd) | Other 305.37 ( 1.56% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 56 | Build the list 1085.38 (56.43% of List ) | Other 837.89 (43.57% of List ) | List time 1923.27 (22.50% of Nonbo) | Short_ene time 1787.73 (59.94% of Direc) | Other 1194.70 (40.06% of Direc) | Direct Ewald time 2982.43 (45.02% of Ewald) | Adjust Ewald time 23.40 ( 0.35% of Ewald) | Fill Bspline coeffs 418.56 (15.66% of Recip) | Fill charge grid 77.77 ( 2.91% of Recip) | Scalar sum 93.30 ( 3.49% of Recip) | Grad sum 126.99 ( 4.75% of Recip) | FFT back comm time 1374.51 (75.75% of FFT t) | Other 439.95 (24.25% of FFT t) | FFT time 1814.47 (67.90% of Recip) | Other 141.16 ( 5.28% of Recip) | Recip Ewald time 2672.24 (40.34% of Ewald) | Force Adjust 368.12 ( 5.56% of Ewald) | Virial junk 576.18 ( 8.70% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6624.06 (77.49% of Nonbo) | Other 0.95 ( 0.01% of Nonbo) | Nonbond force 8548.43 (69.06% of Force) | Bond/Angle/Dihedral 44.28 ( 0.36% of Force) | FRC Collect time 3394.16 (27.42% of Force) | Other 391.82 ( 3.17% of Force) | Force time 12378.68 (63.26% of Runmd) | Shake time 135.40 ( 0.69% of Runmd) | Verlet update time 1382.88 ( 7.07% of Runmd) | Ekcmr time 3402.14 (17.39% of Runmd) | CRD distribute time 2074.50 (10.60% of Runmd) | Other 193.53 ( 0.99% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 57 | Build the list 1091.02 (57.46% of List ) | Other 807.74 (42.54% of List ) | List time 1898.76 (22.24% of Nonbo) | Short_ene time 1895.76 (61.52% of Direc) | Other 1185.92 (38.48% of Direc) | Direct Ewald time 3081.68 (46.43% of Ewald) | Adjust Ewald time 22.97 ( 0.35% of Ewald) | Fill Bspline coeffs 422.47 (15.72% of Recip) | Fill charge grid 81.36 ( 3.03% of Recip) | Scalar sum 93.29 ( 3.47% of Recip) | Grad sum 129.14 ( 4.81% of Recip) | FFT back comm time 1375.35 (75.47% of FFT t) | Other 446.93 (24.53% of FFT t) | FFT time 1822.28 (67.81% of Recip) | Other 138.71 ( 5.16% of Recip) | Recip Ewald time 2687.24 (40.49% of Ewald) | Force Adjust 265.66 ( 4.00% of Ewald) | Virial junk 577.69 ( 8.70% of Ewald) | Start sycnronization 0.65 ( 0.01% of Ewald) | Other 1.02 ( 0.02% of Ewald) | Ewald time 6637.15 (77.75% of Nonbo) | Other 0.96 ( 0.01% of Nonbo) | Nonbond force 8537.04 (68.97% of Force) | Bond/Angle/Dihedral 44.73 ( 0.36% of Force) | FRC Collect time 3394.37 (27.42% of Force) | Other 401.27 ( 3.24% of Force) | Force time 12377.42 (63.26% of Runmd) | Shake time 134.37 ( 0.69% of Runmd) | Verlet update time 1422.30 ( 7.27% of Runmd) | Ekcmr time 2872.47 (14.68% of Runmd) | CRD distribute time 2545.12 (13.01% of Runmd) | Other 215.46 ( 1.10% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 58 | Build the list 1085.13 (56.75% of List ) | Other 827.09 (43.25% of List ) | List time 1912.22 (22.40% of Nonbo) | Short_ene time 2029.74 (63.68% of Direc) | Other 1157.52 (36.32% of Direc) | Direct Ewald time 3187.26 (48.11% of Ewald) | Adjust Ewald time 22.57 ( 0.34% of Ewald) | Fill Bspline coeffs 419.30 (15.69% of Recip) | Fill charge grid 76.70 ( 2.87% of Recip) | Scalar sum 93.29 ( 3.49% of Recip) | Grad sum 127.18 ( 4.76% of Recip) | FFT back comm time 1377.43 (75.87% of FFT t) | Other 438.15 (24.13% of FFT t) | FFT time 1815.58 (67.96% of Recip) | Other 139.53 ( 5.22% of Recip) | Recip Ewald time 2671.58 (40.33% of Ewald) | Force Adjust 161.16 ( 2.43% of Ewald) | Virial junk 580.83 ( 8.77% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6625.04 (77.59% of Nonbo) | Other 0.87 ( 0.01% of Nonbo) | Nonbond force 8538.27 (68.97% of Force) | Bond/Angle/Dihedral 43.87 ( 0.35% of Force) | FRC Collect time 3395.07 (27.42% of Force) | Other 403.16 ( 3.26% of Force) | Force time 12380.37 (63.27% of Runmd) | Shake time 134.41 ( 0.69% of Runmd) | Verlet update time 1407.47 ( 7.19% of Runmd) | Ekcmr time 3040.34 (15.54% of Runmd) | CRD distribute time 2391.10 (12.22% of Runmd) | Other 213.44 ( 1.09% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 59 | Build the list 1084.98 (56.78% of List ) | Other 825.89 (43.22% of List ) | List time 1910.87 (22.38% of Nonbo) | Short_ene time 1822.03 (60.28% of Direc) | Other 1200.48 (39.72% of Direc) | Direct Ewald time 3022.51 (45.62% of Ewald) | Adjust Ewald time 23.19 ( 0.35% of Ewald) | Fill Bspline coeffs 409.15 (15.30% of Recip) | Fill charge grid 81.56 ( 3.05% of Recip) | Scalar sum 92.98 ( 3.48% of Recip) | Grad sum 128.93 ( 4.82% of Recip) | FFT back comm time 1378.92 (75.57% of FFT t) | Other 445.89 (24.43% of FFT t) | FFT time 1824.81 (68.22% of Recip) | Other 137.51 ( 5.14% of Recip) | Recip Ewald time 2674.93 (40.38% of Ewald) | Force Adjust 323.26 ( 4.88% of Ewald) | Virial junk 579.40 ( 8.75% of Ewald) | Start sycnronization 0.54 ( 0.01% of Ewald) | Other 0.93 ( 0.01% of Ewald) | Ewald time 6624.97 (77.60% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8536.92 (68.96% of Force) | Bond/Angle/Dihedral 44.69 ( 0.36% of Force) | FRC Collect time 3394.75 (27.42% of Force) | Other 403.64 ( 3.26% of Force) | Force time 12380.00 (63.27% of Runmd) | Shake time 135.02 ( 0.69% of Runmd) | Verlet update time 1457.78 ( 7.45% of Runmd) | Ekcmr time 2005.30 (10.25% of Runmd) | CRD distribute time 3334.49 (17.04% of Runmd) | Other 254.55 ( 1.30% of Runmd) | Runmd Time 19567.13 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.46 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 60 | Build the list 1089.16 (56.97% of List ) | Other 822.58 (43.03% of List ) | List time 1911.74 (22.38% of Nonbo) | Short_ene time 1811.22 (59.68% of Direc) | Other 1223.45 (40.32% of Direc) | Direct Ewald time 3034.67 (45.79% of Ewald) | Adjust Ewald time 23.26 ( 0.35% of Ewald) | Fill Bspline coeffs 408.13 (15.25% of Recip) | Fill charge grid 80.16 ( 3.00% of Recip) | Scalar sum 92.85 ( 3.47% of Recip) | Grad sum 128.31 ( 4.80% of Recip) | FFT back comm time 1383.79 (75.60% of FFT t) | Other 446.58 (24.40% of FFT t) | FFT time 1830.37 (68.41% of Recip) | Other 135.67 ( 5.07% of Recip) | Recip Ewald time 2675.48 (40.37% of Ewald) | Force Adjust 318.39 ( 4.80% of Ewald) | Virial junk 574.30 ( 8.67% of Ewald) | Start sycnronization 0.53 ( 0.01% of Ewald) | Other 0.91 ( 0.01% of Ewald) | Ewald time 6627.74 (77.60% of Nonbo) | Other 0.91 ( 0.01% of Nonbo) | Nonbond force 8540.53 (68.99% of Force) | Bond/Angle/Dihedral 46.51 ( 0.38% of Force) | FRC Collect time 3393.63 (27.41% of Force) | Other 398.90 ( 3.22% of Force) | Force time 12379.58 (63.27% of Runmd) | Shake time 135.37 ( 0.69% of Runmd) | Verlet update time 1413.09 ( 7.22% of Runmd) | Ekcmr time 2873.44 (14.69% of Runmd) | CRD distribute time 2555.22 (13.06% of Runmd) | Other 210.45 ( 1.08% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 61 | Build the list 1091.48 (57.46% of List ) | Other 808.03 (42.54% of List ) | List time 1899.51 (22.25% of Nonbo) | Short_ene time 1934.02 (62.59% of Direc) | Other 1156.14 (37.41% of Direc) | Direct Ewald time 3090.16 (46.55% of Ewald) | Adjust Ewald time 22.80 ( 0.34% of Ewald) | Fill Bspline coeffs 417.06 (15.51% of Recip) | Fill charge grid 80.17 ( 2.98% of Recip) | Scalar sum 92.80 ( 3.45% of Recip) | Grad sum 127.36 ( 4.74% of Recip) | FFT back comm time 1386.00 (75.49% of FFT t) | Other 449.92 (24.51% of FFT t) | FFT time 1835.92 (68.27% of Recip) | Other 136.01 ( 5.06% of Recip) | Recip Ewald time 2689.32 (40.51% of Ewald) | Force Adjust 255.83 ( 3.85% of Ewald) | Virial junk 578.40 ( 8.71% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 0.96 ( 0.01% of Ewald) | Ewald time 6638.30 (77.74% of Nonbo) | Other 0.86 ( 0.01% of Nonbo) | Nonbond force 8538.84 (68.98% of Force) | Bond/Angle/Dihedral 52.00 ( 0.42% of Force) | FRC Collect time 3393.43 (27.41% of Force) | Other 394.11 ( 3.18% of Force) | Force time 12378.38 (63.26% of Runmd) | Shake time 134.96 ( 0.69% of Runmd) | Verlet update time 1482.15 ( 7.57% of Runmd) | Ekcmr time 1806.42 ( 9.23% of Runmd) | CRD distribute time 3501.50 (17.89% of Runmd) | Other 263.74 ( 1.35% of Runmd) | Runmd Time 19567.15 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 62 | Build the list 1090.30 (56.72% of List ) | Other 831.87 (43.28% of List ) | List time 1922.16 (22.46% of Nonbo) | Short_ene time 1870.29 (61.27% of Direc) | Other 1182.13 (38.73% of Direc) | Direct Ewald time 3052.42 (46.02% of Ewald) | Adjust Ewald time 23.07 ( 0.35% of Ewald) | Fill Bspline coeffs 422.27 (15.75% of Recip) | Fill charge grid 76.52 ( 2.85% of Recip) | Scalar sum 92.72 ( 3.46% of Recip) | Grad sum 128.11 ( 4.78% of Recip) | FFT back comm time 1386.65 (75.89% of FFT t) | Other 440.43 (24.11% of FFT t) | FFT time 1827.08 (68.14% of Recip) | Other 134.62 ( 5.02% of Recip) | Recip Ewald time 2681.33 (40.42% of Ewald) | Force Adjust 296.99 ( 4.48% of Ewald) | Virial junk 578.04 ( 8.71% of Ewald) | Start sycnronization 0.55 ( 0.01% of Ewald) | Other 0.90 ( 0.01% of Ewald) | Ewald time 6633.49 (77.52% of Nonbo) | Other 0.93 ( 0.01% of Nonbo) | Nonbond force 8556.74 (69.12% of Force) | Bond/Angle/Dihedral 50.79 ( 0.41% of Force) | FRC Collect time 3393.48 (27.41% of Force) | Other 379.38 ( 3.06% of Force) | Force time 12380.40 (63.27% of Runmd) | Shake time 134.36 ( 0.69% of Runmd) | Verlet update time 1458.54 ( 7.45% of Runmd) | Ekcmr time 2121.56 (10.84% of Runmd) | CRD distribute time 3220.01 (16.46% of Runmd) | Other 252.29 ( 1.29% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 63 | Build the list 1088.13 (57.26% of List ) | Other 812.19 (42.74% of List ) | List time 1900.32 (22.25% of Nonbo) | Short_ene time 1572.03 (57.16% of Direc) | Other 1178.27 (42.84% of Direc) | Direct Ewald time 2750.29 (41.43% of Ewald) | Adjust Ewald time 23.65 ( 0.36% of Ewald) | Fill Bspline coeffs 416.45 (15.48% of Recip) | Fill charge grid 81.39 ( 3.03% of Recip) | Scalar sum 92.60 ( 3.44% of Recip) | Grad sum 127.98 ( 4.76% of Recip) | FFT back comm time 1387.22 (75.55% of FFT t) | Other 449.05 (24.45% of FFT t) | FFT time 1836.27 (68.27% of Recip) | Other 135.00 ( 5.02% of Recip) | Recip Ewald time 2689.68 (40.51% of Ewald) | Force Adjust 593.76 ( 8.94% of Ewald) | Virial junk 579.57 ( 8.73% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 0.98 ( 0.01% of Ewald) | Ewald time 6638.74 (77.74% of Nonbo) | Other 0.94 ( 0.01% of Nonbo) | Nonbond force 8540.16 (68.99% of Force) | Bond/Angle/Dihedral 57.34 ( 0.46% of Force) | FRC Collect time 3393.08 (27.41% of Force) | Other 388.72 ( 3.14% of Force) | Force time 12379.30 (63.27% of Runmd) | Shake time 135.21 ( 0.69% of Runmd) | Verlet update time 1462.68 ( 7.48% of Runmd) | Ekcmr time 1812.32 ( 9.26% of Runmd) | CRD distribute time 3517.77 (17.98% of Runmd) | Other 259.88 ( 1.33% of Runmd) | Runmd Time 19567.14 (100.0% of Total) | Other 1.33 ( 0.01% of Total) | Total time 19568.47 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 1087.92 ( 1079.48 1099.59 4.22) | Other 823.60 ( 796.09 852.44 10.97) | List time 1911.53 ( 1895.08 1932.92 8.58) | Short_ene time 1837.79 ( 1572.03 2049.00 82.91) | Other 1189.07 ( 1147.92 1224.03 18.71) | Direct Ewald time 3026.86 ( 2750.29 3196.92 72.10) | Adjust Ewald time 24.32 ( 22.57 26.12 1.24) | Fill Bspline coeffs 436.81 ( 404.03 479.88 25.19) | Fill charge grid 101.28 ( 75.10 141.67 23.87) | Scalar sum 130.46 ( 92.55 185.66 45.29) | Grad sum 154.76 ( 126.99 198.31 30.40) | FFT back comm time 1397.85 ( 1374.51 1423.95 12.91) | Other 372.67 ( 255.30 453.68 78.33) | FFT time 1770.52 ( 1653.28 1859.69 83.27) | Other 84.51 ( 22.50 141.16 43.59) | Recip Ewald time 2678.32 ( 2660.78 2706.36 8.72) | Force Adjust 322.58 ( 146.95 593.76 73.23) | Virial junk 576.99 ( 566.73 588.67 4.48) | Start sycnronization 0.57 ( 0.48 0.70 0.05) | Other 0.95 ( 0.86 1.07 0.04) | Ewald time 6630.82 ( 6611.57 6659.03 8.37) | Other 0.91 ( 0.77 1.01 0.05) | Nonbond force 8543.42 ( 8522.11 8556.74 7.67) | Bond/Angle/Dihedral 42.50 ( 38.93 57.34 2.80) | FRC Collect time 3615.49 ( 3388.68 4133.67 236.51) | Other 402.25 ( 379.38 422.97 7.90) | Force time 12603.66 ( 12376.60 13121.86 237.61) | Shake time 132.57 ( 90.64 158.24 9.23) | Verlet update time 1262.67 ( 800.00 1668.12 225.51) | Ekcmr time 2396.46 ( 1714.04 3659.25 525.50) | CRD distribute time 2918.40 ( 1866.39 3519.38 458.71) | Other 253.43 ( 168.52 329.34 31.67) | Runmd Time 19567.19 ( 19567.13 19570.12 0.37) | Other 1.32 ( 1.21 1.33 0.01) | Total time 19568.52 ( 19568.46 19571.43 0.37)