|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 170.36 (56.46% of List ) | Other 131.37 (43.54% of List ) | List time 301.73 (23.12% of Nonbo) | Short_ene time 301.16 (62.82% of Direc) | Other 178.27 (37.18% of Direc) | Direct Ewald time 479.43 (47.80% of Ewald) | Adjust Ewald time 3.99 ( 0.40% of Ewald) | Self Ewald time 0.25 ( 0.02% of Ewald) | Fill Bspline coeffs 74.40 (18.70% of Recip) | Fill charge grid 19.21 ( 4.83% of Recip) | Scalar sum 27.36 ( 6.87% of Recip) | Grad sum 29.07 ( 7.30% of Recip) | FFT back comm time 204.70 (84.18% of FFT t) | Other 38.48 (15.82% of FFT t) | FFT time 243.18 (61.11% of Recip) | Other 4.75 ( 1.19% of Recip) | Recip Ewald time 397.97 (39.68% of Ewald) | Force Adjust 31.03 ( 3.09% of Ewald) | Virial junk 90.14 ( 8.99% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.03 (76.87% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1304.92 (72.11% of Force) | Bond/Angle/Dihedral 5.76 ( 0.32% of Force) | FRC Collect time 437.84 (24.19% of Force) | Other 61.10 ( 3.38% of Force) | Force time 1809.62 (68.17% of Runmd) | Shake time 21.83 ( 0.82% of Runmd) | Verlet update time 283.17 (10.67% of Runmd) | Ekcmr time 159.93 ( 6.02% of Runmd) | CRD distribute time 305.82 (11.52% of Runmd) | Other 74.33 ( 2.80% of Runmd) | Runmd Time 2654.71 (100.0% of Total) | Other 0.89 ( 0.03% of Total) | Total time 2655.65 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 170.55 (57.04% of List ) | Other 128.47 (42.96% of List ) | List time 299.02 (22.96% of Nonbo) | Short_ene time 308.40 (62.77% of Direc) | Other 182.95 (37.23% of Direc) | Direct Ewald time 491.35 (48.98% of Ewald) | Adjust Ewald time 4.08 ( 0.41% of Ewald) | Fill Bspline coeffs 74.01 (18.59% of Recip) | Fill charge grid 20.01 ( 5.03% of Recip) | Scalar sum 27.34 ( 6.87% of Recip) | Grad sum 28.95 ( 7.27% of Recip) | FFT back comm time 204.90 (84.36% of FFT t) | Other 37.98 (15.64% of FFT t) | FFT time 242.88 (61.02% of Recip) | Other 4.87 ( 1.22% of Recip) | Recip Ewald time 398.06 (39.68% of Ewald) | Force Adjust 18.96 ( 1.89% of Ewald) | Virial junk 90.45 ( 9.02% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.17 (77.03% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.35 (72.28% of Force) | Bond/Angle/Dihedral 5.78 ( 0.32% of Force) | FRC Collect time 431.09 (23.92% of Force) | Other 62.62 ( 3.48% of Force) | Force time 1801.84 (67.95% of Runmd) | Shake time 14.50 ( 0.55% of Runmd) | Verlet update time 162.83 ( 6.14% of Runmd) | Ekcmr time 270.25 (10.19% of Runmd) | CRD distribute time 331.50 (12.50% of Runmd) | Other 70.74 ( 2.67% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 171.17 (57.00% of List ) | Other 129.12 (43.00% of List ) | List time 300.29 (23.02% of Nonbo) | Short_ene time 272.55 (59.63% of Direc) | Other 184.55 (40.37% of Direc) | Direct Ewald time 457.10 (45.52% of Ewald) | Adjust Ewald time 4.18 ( 0.42% of Ewald) | Fill Bspline coeffs 72.77 (18.23% of Recip) | Fill charge grid 19.74 ( 4.95% of Recip) | Scalar sum 27.35 ( 6.85% of Recip) | Grad sum 28.71 ( 7.19% of Recip) | FFT back comm time 205.22 (83.55% of FFT t) | Other 40.41 (16.45% of FFT t) | FFT time 245.63 (61.53% of Recip) | Other 4.99 ( 1.25% of Recip) | Recip Ewald time 399.19 (39.75% of Ewald) | Force Adjust 54.21 ( 5.40% of Ewald) | Virial junk 89.30 ( 8.89% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.22 (76.97% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1304.68 (72.74% of Force) | Bond/Angle/Dihedral 5.84 ( 0.33% of Force) | FRC Collect time 421.72 (23.51% of Force) | Other 61.40 ( 3.42% of Force) | Force time 1793.63 (67.64% of Runmd) | Shake time 14.22 ( 0.54% of Runmd) | Verlet update time 134.15 ( 5.06% of Runmd) | Ekcmr time 373.24 (14.08% of Runmd) | CRD distribute time 281.90 (10.63% of Runmd) | Other 54.51 ( 2.06% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 171.48 (57.55% of List ) | Other 126.51 (42.45% of List ) | List time 298.00 (22.86% of Nonbo) | Short_ene time 304.74 (63.30% of Direc) | Other 176.68 (36.70% of Direc) | Direct Ewald time 481.42 (47.88% of Ewald) | Adjust Ewald time 4.03 ( 0.40% of Ewald) | Fill Bspline coeffs 72.72 (18.15% of Recip) | Fill charge grid 19.94 ( 4.98% of Recip) | Scalar sum 27.32 ( 6.82% of Recip) | Grad sum 28.86 ( 7.20% of Recip) | FFT back comm time 205.55 (83.21% of FFT t) | Other 41.47 (16.79% of FFT t) | FFT time 247.02 (61.66% of Recip) | Other 4.77 ( 1.19% of Recip) | Recip Ewald time 400.63 (39.84% of Ewald) | Force Adjust 29.01 ( 2.88% of Ewald) | Virial junk 90.24 ( 8.97% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.58 (77.13% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.73 (72.74% of Force) | Bond/Angle/Dihedral 5.80 ( 0.32% of Force) | FRC Collect time 421.62 (23.52% of Force) | Other 61.09 ( 3.41% of Force) | Force time 1792.24 (67.59% of Runmd) | Shake time 13.33 ( 0.50% of Runmd) | Verlet update time 186.93 ( 7.05% of Runmd) | Ekcmr time 223.73 ( 8.44% of Runmd) | CRD distribute time 377.79 (14.25% of Runmd) | Other 57.63 ( 2.17% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 172.08 (57.50% of List ) | Other 127.17 (42.50% of List ) | List time 299.25 (22.92% of Nonbo) | Short_ene time 299.10 (62.27% of Direc) | Other 181.20 (37.73% of Direc) | Direct Ewald time 480.31 (47.72% of Ewald) | Adjust Ewald time 4.00 ( 0.40% of Ewald) | Fill Bspline coeffs 74.02 (18.43% of Recip) | Fill charge grid 19.71 ( 4.91% of Recip) | Scalar sum 27.27 ( 6.79% of Recip) | Grad sum 29.07 ( 7.24% of Recip) | FFT back comm time 206.40 (83.47% of FFT t) | Other 40.89 (16.53% of FFT t) | FFT time 247.29 (61.59% of Recip) | Other 4.17 ( 1.04% of Recip) | Recip Ewald time 401.53 (39.89% of Ewald) | Force Adjust 30.56 ( 3.04% of Ewald) | Virial junk 89.82 ( 8.92% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1006.48 (77.07% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.90 (73.40% of Force) | Bond/Angle/Dihedral 5.83 ( 0.33% of Force) | FRC Collect time 407.07 (22.88% of Force) | Other 60.40 ( 3.40% of Force) | Force time 1779.21 (67.10% of Runmd) | Shake time 17.19 ( 0.65% of Runmd) | Verlet update time 167.41 ( 6.31% of Runmd) | Ekcmr time 279.44 (10.54% of Runmd) | CRD distribute time 337.33 (12.72% of Runmd) | Other 71.08 ( 2.68% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 171.08 (57.54% of List ) | Other 126.23 (42.46% of List ) | List time 297.32 (22.83% of Nonbo) | Short_ene time 270.69 (59.66% of Direc) | Other 183.01 (40.34% of Direc) | Direct Ewald time 453.70 (45.16% of Ewald) | Adjust Ewald time 4.02 ( 0.40% of Ewald) | Fill Bspline coeffs 74.61 (18.66% of Recip) | Fill charge grid 18.78 ( 4.70% of Recip) | Scalar sum 27.26 ( 6.82% of Recip) | Grad sum 29.08 ( 7.27% of Recip) | FFT back comm time 206.64 (83.93% of FFT t) | Other 39.57 (16.07% of FFT t) | FFT time 246.21 (61.57% of Recip) | Other 3.91 ( 0.98% of Recip) | Recip Ewald time 399.85 (39.80% of Ewald) | Force Adjust 56.68 ( 5.64% of Ewald) | Virial junk 90.26 ( 8.98% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.76 (77.16% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.24 (73.25% of Force) | Bond/Angle/Dihedral 5.88 ( 0.33% of Force) | FRC Collect time 406.98 (22.89% of Force) | Other 62.77 ( 3.53% of Force) | Force time 1777.87 (67.05% of Runmd) | Shake time 17.07 ( 0.64% of Runmd) | Verlet update time 171.77 ( 6.48% of Runmd) | Ekcmr time 269.21 (10.15% of Runmd) | CRD distribute time 349.14 (13.17% of Runmd) | Other 66.60 ( 2.51% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 171.33 (57.07% of List ) | Other 128.88 (42.93% of List ) | List time 300.22 (23.01% of Nonbo) | Short_ene time 299.80 (62.03% of Direc) | Other 183.54 (37.97% of Direc) | Direct Ewald time 483.34 (48.14% of Ewald) | Adjust Ewald time 3.99 ( 0.40% of Ewald) | Fill Bspline coeffs 74.77 (18.73% of Recip) | Fill charge grid 19.32 ( 4.84% of Recip) | Scalar sum 27.31 ( 6.84% of Recip) | Grad sum 29.37 ( 7.36% of Recip) | FFT back comm time 206.80 (84.45% of FFT t) | Other 38.08 (15.55% of FFT t) | FFT time 244.88 (61.35% of Recip) | Other 3.49 ( 0.87% of Recip) | Recip Ewald time 399.13 (39.75% of Ewald) | Force Adjust 27.64 ( 2.75% of Ewald) | Virial junk 89.77 ( 8.94% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.13 (76.97% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1304.50 (73.32% of Force) | Bond/Angle/Dihedral 5.84 ( 0.33% of Force) | FRC Collect time 407.15 (22.88% of Force) | Other 61.71 ( 3.47% of Force) | Force time 1779.20 (67.10% of Runmd) | Shake time 19.34 ( 0.73% of Runmd) | Verlet update time 174.34 ( 6.57% of Runmd) | Ekcmr time 254.58 ( 9.60% of Runmd) | CRD distribute time 349.07 (13.16% of Runmd) | Other 75.12 ( 2.83% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 170.31 (57.45% of List ) | Other 126.12 (42.55% of List ) | List time 296.44 (22.78% of Nonbo) | Short_ene time 296.62 (62.33% of Direc) | Other 179.29 (37.67% of Direc) | Direct Ewald time 475.92 (47.37% of Ewald) | Adjust Ewald time 4.02 ( 0.40% of Ewald) | Fill Bspline coeffs 74.87 (18.73% of Recip) | Fill charge grid 19.98 ( 5.00% of Recip) | Scalar sum 27.27 ( 6.82% of Recip) | Grad sum 29.40 ( 7.35% of Recip) | FFT back comm time 207.13 (84.60% of FFT t) | Other 37.70 (15.40% of FFT t) | FFT time 244.83 (61.25% of Recip) | Other 3.38 ( 0.85% of Recip) | Recip Ewald time 399.73 (39.79% of Ewald) | Force Adjust 34.12 ( 3.40% of Ewald) | Virial junk 90.57 ( 9.02% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1004.64 (77.21% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1301.26 (73.18% of Force) | Bond/Angle/Dihedral 5.90 ( 0.33% of Force) | FRC Collect time 407.07 (22.89% of Force) | Other 63.84 ( 3.59% of Force) | Force time 1778.06 (67.05% of Runmd) | Shake time 18.01 ( 0.68% of Runmd) | Verlet update time 187.64 ( 7.08% of Runmd) | Ekcmr time 231.32 ( 8.72% of Runmd) | CRD distribute time 381.89 (14.40% of Runmd) | Other 54.73 ( 2.06% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 171.31 (57.12% of List ) | Other 128.58 (42.88% of List ) | List time 299.89 (23.00% of Nonbo) | Short_ene time 269.67 (59.58% of Direc) | Other 182.91 (40.42% of Direc) | Direct Ewald time 452.58 (45.09% of Ewald) | Adjust Ewald time 3.98 ( 0.40% of Ewald) | Fill Bspline coeffs 71.08 (17.82% of Recip) | Fill charge grid 20.18 ( 5.06% of Recip) | Scalar sum 27.36 ( 6.86% of Recip) | Grad sum 29.31 ( 7.35% of Recip) | FFT back comm time 205.18 (83.11% of FFT t) | Other 41.69 (16.89% of FFT t) | FFT time 246.87 (61.88% of Recip) | Other 4.15 ( 1.04% of Recip) | Recip Ewald time 398.95 (39.74% of Ewald) | Force Adjust 58.80 ( 5.86% of Ewald) | Virial junk 89.23 ( 8.89% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.81 (76.99% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1303.85 (73.67% of Force) | Bond/Angle/Dihedral 6.01 ( 0.34% of Force) | FRC Collect time 398.16 (22.50% of Force) | Other 61.89 ( 3.50% of Force) | Force time 1769.90 (66.75% of Runmd) | Shake time 19.95 ( 0.75% of Runmd) | Verlet update time 136.55 ( 5.15% of Runmd) | Ekcmr time 461.24 (17.39% of Runmd) | CRD distribute time 226.86 ( 8.56% of Runmd) | Other 37.15 ( 1.40% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 171.04 (57.38% of List ) | Other 127.04 (42.62% of List ) | List time 298.08 (22.89% of Nonbo) | Short_ene time 291.47 (61.44% of Direc) | Other 182.93 (38.56% of Direc) | Direct Ewald time 474.40 (47.24% of Ewald) | Adjust Ewald time 3.98 ( 0.40% of Ewald) | Fill Bspline coeffs 72.07 (18.06% of Recip) | Fill charge grid 20.04 ( 5.02% of Recip) | Scalar sum 27.35 ( 6.85% of Recip) | Grad sum 29.30 ( 7.34% of Recip) | FFT back comm time 205.35 (83.42% of FFT t) | Other 40.82 (16.58% of FFT t) | FFT time 246.17 (61.68% of Recip) | Other 4.16 ( 1.04% of Recip) | Recip Ewald time 399.08 (39.74% of Ewald) | Force Adjust 37.02 ( 3.69% of Ewald) | Virial junk 89.51 ( 8.91% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.27 (77.10% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.52 (73.65% of Force) | Bond/Angle/Dihedral 5.87 ( 0.33% of Force) | FRC Collect time 398.15 (22.51% of Force) | Other 62.03 ( 3.51% of Force) | Force time 1768.57 (66.70% of Runmd) | Shake time 20.01 ( 0.75% of Runmd) | Verlet update time 159.15 ( 6.00% of Runmd) | Ekcmr time 335.71 (12.66% of Runmd) | CRD distribute time 310.33 (11.70% of Runmd) | Other 57.86 ( 2.18% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 170.02 (56.57% of List ) | Other 130.52 (43.43% of List ) | List time 300.54 (23.04% of Nonbo) | Short_ene time 300.39 (62.54% of Direc) | Other 179.95 (37.46% of Direc) | Direct Ewald time 480.34 (47.87% of Ewald) | Adjust Ewald time 3.95 ( 0.39% of Ewald) | Fill Bspline coeffs 73.62 (18.48% of Recip) | Fill charge grid 19.95 ( 5.01% of Recip) | Scalar sum 27.34 ( 6.86% of Recip) | Grad sum 29.82 ( 7.48% of Recip) | FFT back comm time 205.52 (84.17% of FFT t) | Other 38.64 (15.83% of FFT t) | FFT time 244.17 (61.28% of Recip) | Other 3.57 ( 0.90% of Recip) | Recip Ewald time 398.45 (39.71% of Ewald) | Force Adjust 31.58 ( 3.15% of Ewald) | Virial junk 88.88 ( 8.86% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1003.46 (76.94% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1304.17 (73.69% of Force) | Bond/Angle/Dihedral 5.97 ( 0.34% of Force) | FRC Collect time 398.06 (22.49% of Force) | Other 61.68 ( 3.48% of Force) | Force time 1769.88 (66.75% of Runmd) | Shake time 20.54 ( 0.77% of Runmd) | Verlet update time 147.29 ( 5.55% of Runmd) | Ekcmr time 380.06 (14.33% of Runmd) | CRD distribute time 283.87 (10.71% of Runmd) | Other 50.01 ( 1.89% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 171.19 (57.30% of List ) | Other 127.56 (42.70% of List ) | List time 298.75 (22.94% of Nonbo) | Short_ene time 267.46 (58.92% of Direc) | Other 186.47 (41.08% of Direc) | Direct Ewald time 453.93 (45.24% of Ewald) | Adjust Ewald time 4.05 ( 0.40% of Ewald) | Fill Bspline coeffs 73.44 (18.43% of Recip) | Fill charge grid 19.54 ( 4.91% of Recip) | Scalar sum 27.33 ( 6.86% of Recip) | Grad sum 29.59 ( 7.43% of Recip) | FFT back comm time 205.65 (84.03% of FFT t) | Other 39.10 (15.97% of FFT t) | FFT time 244.74 (61.43% of Recip) | Other 3.76 ( 0.94% of Recip) | Recip Ewald time 398.41 (39.70% of Ewald) | Force Adjust 58.63 ( 5.84% of Ewald) | Virial junk 88.18 ( 8.79% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1003.47 (77.05% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.38 (73.64% of Force) | Bond/Angle/Dihedral 5.94 ( 0.34% of Force) | FRC Collect time 398.02 (22.50% of Force) | Other 62.26 ( 3.52% of Force) | Force time 1768.60 (66.70% of Runmd) | Shake time 20.29 ( 0.77% of Runmd) | Verlet update time 183.12 ( 6.91% of Runmd) | Ekcmr time 241.50 ( 9.11% of Runmd) | CRD distribute time 388.69 (14.66% of Runmd) | Other 49.45 ( 1.86% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 172.14 (57.92% of List ) | Other 125.08 (42.08% of List ) | List time 297.22 (22.77% of Nonbo) | Short_ene time 282.12 (60.63% of Direc) | Other 183.16 (39.37% of Direc) | Direct Ewald time 465.27 (46.15% of Ewald) | Adjust Ewald time 4.01 ( 0.40% of Ewald) | Fill Bspline coeffs 74.33 (18.44% of Recip) | Fill charge grid 20.00 ( 4.96% of Recip) | Scalar sum 27.28 ( 6.77% of Recip) | Grad sum 29.40 ( 7.29% of Recip) | FFT back comm time 206.30 (83.05% of FFT t) | Other 42.10 (16.95% of FFT t) | FFT time 248.40 (61.62% of Recip) | Other 3.71 ( 0.92% of Recip) | Recip Ewald time 403.13 (39.99% of Ewald) | Force Adjust 46.13 ( 4.58% of Ewald) | Virial junk 89.30 ( 8.86% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1008.12 (77.22% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.50 (73.77% of Force) | Bond/Angle/Dihedral 5.99 ( 0.34% of Force) | FRC Collect time 397.84 (22.48% of Force) | Other 60.36 ( 3.41% of Force) | Force time 1769.69 (66.74% of Runmd) | Shake time 19.89 ( 0.75% of Runmd) | Verlet update time 162.71 ( 6.14% of Runmd) | Ekcmr time 316.45 (11.93% of Runmd) | CRD distribute time 321.39 (12.12% of Runmd) | Other 61.52 ( 2.32% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 170.07 (57.04% of List ) | Other 128.09 (42.96% of List ) | List time 298.16 (22.91% of Nonbo) | Short_ene time 290.05 (61.43% of Direc) | Other 182.08 (38.57% of Direc) | Direct Ewald time 472.13 (47.07% of Ewald) | Adjust Ewald time 3.99 ( 0.40% of Ewald) | Fill Bspline coeffs 73.78 (18.55% of Recip) | Fill charge grid 19.75 ( 4.97% of Recip) | Scalar sum 27.29 ( 6.86% of Recip) | Grad sum 29.79 ( 7.49% of Recip) | FFT back comm time 206.48 (84.63% of FFT t) | Other 37.51 (15.37% of FFT t) | FFT time 243.99 (61.34% of Recip) | Other 3.13 ( 0.79% of Recip) | Recip Ewald time 397.73 (39.66% of Ewald) | Force Adjust 39.63 ( 3.95% of Ewald) | Virial junk 89.23 ( 8.90% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1002.96 (77.07% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.29 (73.59% of Force) | Bond/Angle/Dihedral 5.81 ( 0.33% of Force) | FRC Collect time 397.74 (22.49% of Force) | Other 63.35 ( 3.58% of Force) | Force time 1768.20 (66.68% of Runmd) | Shake time 20.80 ( 0.78% of Runmd) | Verlet update time 169.26 ( 6.38% of Runmd) | Ekcmr time 277.17 (10.45% of Runmd) | CRD distribute time 356.64 (13.45% of Runmd) | Other 59.58 ( 2.25% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 171.08 (56.68% of List ) | Other 130.78 (43.32% of List ) | List time 301.86 (23.11% of Nonbo) | Short_ene time 267.52 (59.42% of Direc) | Other 182.73 (40.58% of Direc) | Direct Ewald time 450.25 (44.85% of Ewald) | Adjust Ewald time 4.14 ( 0.41% of Ewald) | Fill Bspline coeffs 74.77 (18.74% of Recip) | Fill charge grid 19.52 ( 4.89% of Recip) | Scalar sum 27.32 ( 6.85% of Recip) | Grad sum 29.99 ( 7.51% of Recip) | FFT back comm time 206.68 (84.51% of FFT t) | Other 37.89 (15.49% of FFT t) | FFT time 244.56 (61.29% of Recip) | Other 2.89 ( 0.72% of Recip) | Recip Ewald time 399.05 (39.75% of Ewald) | Force Adjust 61.90 ( 6.17% of Ewald) | Virial junk 88.35 ( 8.80% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.96 (76.87% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.99 (73.79% of Force) | Bond/Angle/Dihedral 5.98 ( 0.34% of Force) | FRC Collect time 397.98 (22.49% of Force) | Other 59.90 ( 3.38% of Force) | Force time 1769.84 (66.74% of Runmd) | Shake time 20.62 ( 0.78% of Runmd) | Verlet update time 187.00 ( 7.05% of Runmd) | Ekcmr time 245.90 ( 9.27% of Runmd) | CRD distribute time 369.07 (13.92% of Runmd) | Other 59.23 ( 2.23% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 170.77 (57.45% of List ) | Other 126.46 (42.55% of List ) | List time 297.23 (22.84% of Nonbo) | Short_ene time 273.13 (59.59% of Direc) | Other 185.23 (40.41% of Direc) | Direct Ewald time 458.35 (45.64% of Ewald) | Adjust Ewald time 4.05 ( 0.40% of Ewald) | Fill Bspline coeffs 74.32 (18.62% of Recip) | Fill charge grid 18.59 ( 4.66% of Recip) | Scalar sum 27.26 ( 6.83% of Recip) | Grad sum 29.47 ( 7.38% of Recip) | FFT back comm time 206.83 (84.00% of FFT t) | Other 39.39 (16.00% of FFT t) | FFT time 246.22 (61.69% of Recip) | Other 3.25 ( 0.81% of Recip) | Recip Ewald time 399.10 (39.74% of Ewald) | Force Adjust 53.06 ( 5.28% of Ewald) | Virial junk 89.41 ( 8.90% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1004.20 (77.15% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.59 (73.59% of Force) | Bond/Angle/Dihedral 5.88 ( 0.33% of Force) | FRC Collect time 397.88 (22.50% of Force) | Other 63.24 ( 3.58% of Force) | Force time 1768.59 (66.70% of Runmd) | Shake time 19.92 ( 0.75% of Runmd) | Verlet update time 174.15 ( 6.57% of Runmd) | Ekcmr time 252.04 ( 9.51% of Runmd) | CRD distribute time 386.19 (14.56% of Runmd) | Other 50.74 ( 1.91% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 171.75 (57.72% of List ) | Other 125.79 (42.28% of List ) | List time 297.54 (22.82% of Nonbo) | Short_ene time 297.75 (62.50% of Direc) | Other 178.65 (37.50% of Direc) | Direct Ewald time 476.40 (47.34% of Ewald) | Adjust Ewald time 3.96 ( 0.39% of Ewald) | Fill Bspline coeffs 72.70 (18.11% of Recip) | Fill charge grid 20.30 ( 5.06% of Recip) | Scalar sum 27.36 ( 6.81% of Recip) | Grad sum 29.64 ( 7.38% of Recip) | FFT back comm time 203.46 (82.22% of FFT t) | Other 43.99 (17.78% of FFT t) | FFT time 247.44 (61.63% of Recip) | Other 4.09 ( 1.02% of Recip) | Recip Ewald time 401.53 (39.90% of Ewald) | Force Adjust 35.09 ( 3.49% of Ewald) | Virial junk 89.02 ( 8.85% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1006.26 (77.17% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.96 (74.26% of Force) | Bond/Angle/Dihedral 6.06 ( 0.34% of Force) | FRC Collect time 384.32 (21.89% of Force) | Other 61.72 ( 3.51% of Force) | Force time 1756.06 (66.23% of Runmd) | Shake time 19.86 ( 0.75% of Runmd) | Verlet update time 160.62 ( 6.06% of Runmd) | Ekcmr time 430.76 (16.24% of Runmd) | CRD distribute time 232.23 ( 8.76% of Runmd) | Other 52.13 ( 1.97% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 169.12 (56.77% of List ) | Other 128.76 (43.23% of List ) | List time 297.88 (22.92% of Nonbo) | Short_ene time 269.27 (59.20% of Direc) | Other 185.54 (40.80% of Direc) | Direct Ewald time 454.82 (45.40% of Ewald) | Adjust Ewald time 4.01 ( 0.40% of Ewald) | Fill Bspline coeffs 73.10 (18.42% of Recip) | Fill charge grid 19.66 ( 4.95% of Recip) | Scalar sum 27.35 ( 6.89% of Recip) | Grad sum 29.92 ( 7.54% of Recip) | FFT back comm time 203.75 (83.77% of FFT t) | Other 39.49 (16.23% of FFT t) | FFT time 243.23 (61.28% of Recip) | Other 3.66 ( 0.92% of Recip) | Recip Ewald time 396.93 (39.62% of Ewald) | Force Adjust 57.09 ( 5.70% of Ewald) | Virial junk 88.71 ( 8.86% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1001.81 (77.07% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1299.85 (74.08% of Force) | Bond/Angle/Dihedral 5.94 ( 0.34% of Force) | FRC Collect time 384.29 (21.90% of Force) | Other 64.60 ( 3.68% of Force) | Force time 1754.68 (66.17% of Runmd) | Shake time 19.84 ( 0.75% of Runmd) | Verlet update time 175.42 ( 6.62% of Runmd) | Ekcmr time 331.78 (12.51% of Runmd) | CRD distribute time 308.50 (11.63% of Runmd) | Other 61.43 ( 2.32% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 171.47 (57.51% of List ) | Other 126.68 (42.49% of List ) | List time 298.15 (22.85% of Nonbo) | Short_ene time 268.24 (58.91% of Direc) | Other 187.11 (41.09% of Direc) | Direct Ewald time 455.35 (45.25% of Ewald) | Adjust Ewald time 4.02 ( 0.40% of Ewald) | Fill Bspline coeffs 71.33 (17.77% of Recip) | Fill charge grid 20.84 ( 5.19% of Recip) | Scalar sum 27.34 ( 6.81% of Recip) | Grad sum 29.67 ( 7.39% of Recip) | FFT back comm time 203.81 (82.06% of FFT t) | Other 44.55 (17.94% of FFT t) | FFT time 248.36 (61.86% of Recip) | Other 3.95 ( 0.98% of Recip) | Recip Ewald time 401.48 (39.89% of Ewald) | Force Adjust 56.67 ( 5.63% of Ewald) | Virial junk 88.56 ( 8.80% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1006.36 (77.13% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1304.68 (74.29% of Force) | Bond/Angle/Dihedral 6.06 ( 0.35% of Force) | FRC Collect time 384.52 (21.90% of Force) | Other 60.95 ( 3.47% of Force) | Force time 1756.21 (66.23% of Runmd) | Shake time 19.72 ( 0.74% of Runmd) | Verlet update time 162.16 ( 6.12% of Runmd) | Ekcmr time 417.12 (15.73% of Runmd) | CRD distribute time 245.56 ( 9.26% of Runmd) | Other 50.88 ( 1.92% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 170.82 (56.80% of List ) | Other 129.94 (43.20% of List ) | List time 300.76 (23.09% of Nonbo) | Short_ene time 293.57 (61.48% of Direc) | Other 183.98 (38.52% of Direc) | Direct Ewald time 477.55 (47.68% of Ewald) | Adjust Ewald time 4.01 ( 0.40% of Ewald) | Fill Bspline coeffs 73.33 (18.48% of Recip) | Fill charge grid 19.02 ( 4.79% of Recip) | Scalar sum 27.34 ( 6.89% of Recip) | Grad sum 29.95 ( 7.55% of Recip) | FFT back comm time 204.04 (83.72% of FFT t) | Other 39.67 (16.28% of FFT t) | FFT time 243.70 (61.41% of Recip) | Other 3.53 ( 0.89% of Recip) | Recip Ewald time 396.87 (39.62% of Ewald) | Force Adjust 34.79 ( 3.47% of Ewald) | Virial junk 88.19 ( 8.80% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1001.66 (76.90% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.56 (74.22% of Force) | Bond/Angle/Dihedral 6.13 ( 0.35% of Force) | FRC Collect time 384.44 (21.91% of Force) | Other 61.82 ( 3.52% of Force) | Force time 1754.95 (66.18% of Runmd) | Shake time 20.00 ( 0.75% of Runmd) | Verlet update time 200.46 ( 7.56% of Runmd) | Ekcmr time 244.14 ( 9.21% of Runmd) | CRD distribute time 372.34 (14.04% of Runmd) | Other 59.76 ( 2.25% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 172.74 (57.88% of List ) | Other 125.73 (42.12% of List ) | List time 298.47 (22.86% of Nonbo) | Short_ene time 275.22 (60.56% of Direc) | Other 179.23 (39.44% of Direc) | Direct Ewald time 454.45 (45.13% of Ewald) | Adjust Ewald time 4.11 ( 0.41% of Ewald) | Fill Bspline coeffs 73.27 (18.22% of Recip) | Fill charge grid 20.18 ( 5.02% of Recip) | Scalar sum 27.29 ( 6.79% of Recip) | Grad sum 29.97 ( 7.45% of Recip) | FFT back comm time 204.61 (82.45% of FFT t) | Other 43.55 (17.55% of FFT t) | FFT time 248.17 (61.72% of Recip) | Other 3.24 ( 0.81% of Recip) | Recip Ewald time 402.12 (39.93% of Ewald) | Force Adjust 57.32 ( 5.69% of Ewald) | Virial junk 88.72 ( 8.81% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1006.98 (77.13% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.61 (74.38% of Force) | Bond/Angle/Dihedral 6.06 ( 0.35% of Force) | FRC Collect time 383.71 (21.86% of Force) | Other 59.98 ( 3.42% of Force) | Force time 1755.37 (66.20% of Runmd) | Shake time 20.24 ( 0.76% of Runmd) | Verlet update time 185.27 ( 6.99% of Runmd) | Ekcmr time 323.38 (12.20% of Runmd) | CRD distribute time 316.35 (11.93% of Runmd) | Other 51.03 ( 1.92% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 171.05 (57.63% of List ) | Other 125.77 (42.37% of List ) | List time 296.82 (22.79% of Nonbo) | Short_ene time 270.42 (59.52% of Direc) | Other 183.91 (40.48% of Direc) | Direct Ewald time 454.32 (45.20% of Ewald) | Adjust Ewald time 4.03 ( 0.40% of Ewald) | Fill Bspline coeffs 73.15 (18.27% of Recip) | Fill charge grid 19.66 ( 4.91% of Recip) | Scalar sum 27.29 ( 6.81% of Recip) | Grad sum 29.87 ( 7.46% of Recip) | FFT back comm time 204.71 (82.81% of FFT t) | Other 42.50 (17.19% of FFT t) | FFT time 247.21 (61.74% of Recip) | Other 3.22 ( 0.81% of Recip) | Recip Ewald time 400.40 (39.83% of Ewald) | Force Adjust 57.70 ( 5.74% of Ewald) | Virial junk 88.51 ( 8.81% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.20 (77.19% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.17 (74.23% of Force) | Bond/Angle/Dihedral 6.00 ( 0.34% of Force) | FRC Collect time 383.66 (21.87% of Force) | Other 62.30 ( 3.55% of Force) | Force time 1754.14 (66.15% of Runmd) | Shake time 20.23 ( 0.76% of Runmd) | Verlet update time 182.46 ( 6.88% of Runmd) | Ekcmr time 310.62 (11.71% of Runmd) | CRD distribute time 337.14 (12.71% of Runmd) | Other 47.06 ( 1.77% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 171.35 (57.05% of List ) | Other 129.02 (42.95% of List ) | List time 300.37 (23.02% of Nonbo) | Short_ene time 286.01 (60.70% of Direc) | Other 185.18 (39.30% of Direc) | Direct Ewald time 471.19 (46.93% of Ewald) | Adjust Ewald time 4.06 ( 0.40% of Ewald) | Fill Bspline coeffs 73.48 (18.40% of Recip) | Fill charge grid 20.64 ( 5.17% of Recip) | Scalar sum 27.22 ( 6.81% of Recip) | Grad sum 30.06 ( 7.53% of Recip) | FFT back comm time 205.01 (83.68% of FFT t) | Other 39.97 (16.32% of FFT t) | FFT time 244.98 (61.33% of Recip) | Other 3.07 ( 0.77% of Recip) | Recip Ewald time 399.45 (39.78% of Ewald) | Force Adjust 40.83 ( 4.07% of Ewald) | Virial junk 88.32 ( 8.80% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1004.14 (76.96% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1304.68 (74.31% of Force) | Bond/Angle/Dihedral 5.91 ( 0.34% of Force) | FRC Collect time 384.06 (21.87% of Force) | Other 61.12 ( 3.48% of Force) | Force time 1755.78 (66.21% of Runmd) | Shake time 20.15 ( 0.76% of Runmd) | Verlet update time 186.92 ( 7.05% of Runmd) | Ekcmr time 302.29 (11.40% of Runmd) | CRD distribute time 327.36 (12.35% of Runmd) | Other 59.16 ( 2.23% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 169.69 (56.76% of List ) | Other 129.28 (43.24% of List ) | List time 298.97 (22.98% of Nonbo) | Short_ene time 274.13 (59.92% of Direc) | Other 183.39 (40.08% of Direc) | Direct Ewald time 457.52 (45.66% of Ewald) | Adjust Ewald time 4.05 ( 0.40% of Ewald) | Fill Bspline coeffs 72.71 (18.31% of Recip) | Fill charge grid 19.72 ( 4.96% of Recip) | Scalar sum 27.26 ( 6.86% of Recip) | Grad sum 30.09 ( 7.58% of Recip) | FFT back comm time 205.07 (83.89% of FFT t) | Other 39.39 (16.11% of FFT t) | FFT time 244.46 (61.55% of Recip) | Other 2.91 ( 0.73% of Recip) | Recip Ewald time 397.15 (39.64% of Ewald) | Force Adjust 54.63 ( 5.45% of Ewald) | Virial junk 88.34 ( 8.82% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1001.93 (77.01% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.06 (74.15% of Force) | Bond/Angle/Dihedral 6.15 ( 0.35% of Force) | FRC Collect time 383.90 (21.88% of Force) | Other 63.53 ( 3.62% of Force) | Force time 1754.64 (66.17% of Runmd) | Shake time 20.41 ( 0.77% of Runmd) | Verlet update time 206.69 ( 7.79% of Runmd) | Ekcmr time 231.58 ( 8.73% of Runmd) | CRD distribute time 379.76 (14.32% of Runmd) | Other 58.57 ( 2.21% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 171.74 (57.45% of List ) | Other 127.21 (42.55% of List ) | List time 298.95 (22.88% of Nonbo) | Short_ene time 267.24 (58.87% of Direc) | Other 186.73 (41.13% of Direc) | Direct Ewald time 453.97 (45.05% of Ewald) | Adjust Ewald time 4.11 ( 0.41% of Ewald) | Fill Bspline coeffs 70.51 (17.51% of Recip) | Fill charge grid 18.40 ( 4.57% of Recip) | Scalar sum 27.26 ( 6.77% of Recip) | Grad sum 25.62 ( 6.36% of Recip) | FFT back comm time 201.66 (79.68% of FFT t) | Other 51.44 (20.32% of FFT t) | FFT time 253.09 (62.84% of Recip) | Other 7.90 ( 1.96% of Recip) | Recip Ewald time 402.78 (39.97% of Ewald) | Force Adjust 57.74 ( 5.73% of Ewald) | Virial junk 88.71 ( 8.80% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1007.60 (77.11% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1306.71 (74.41% of Force) | Bond/Angle/Dihedral 6.12 ( 0.35% of Force) | FRC Collect time 384.33 (21.89% of Force) | Other 58.85 ( 3.35% of Force) | Force time 1756.01 (66.22% of Runmd) | Shake time 20.06 ( 0.76% of Runmd) | Verlet update time 154.95 ( 5.84% of Runmd) | Ekcmr time 404.46 (15.25% of Runmd) | CRD distribute time 264.29 ( 9.97% of Runmd) | Other 51.88 ( 1.96% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 170.40 (56.96% of List ) | Other 128.74 (43.04% of List ) | List time 299.14 (22.97% of Nonbo) | Short_ene time 284.47 (60.98% of Direc) | Other 182.02 (39.02% of Direc) | Direct Ewald time 466.49 (46.52% of Ewald) | Adjust Ewald time 4.04 ( 0.40% of Ewald) | Fill Bspline coeffs 70.96 (17.84% of Recip) | Fill charge grid 17.19 ( 4.32% of Recip) | Scalar sum 27.24 ( 6.85% of Recip) | Grad sum 25.81 ( 6.49% of Recip) | FFT back comm time 201.83 (81.04% of FFT t) | Other 47.21 (18.96% of FFT t) | FFT time 249.04 (62.61% of Recip) | Other 7.54 ( 1.90% of Recip) | Recip Ewald time 397.78 (39.67% of Ewald) | Force Adjust 45.48 ( 4.54% of Ewald) | Virial junk 88.80 ( 8.85% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1002.83 (77.02% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.13 (74.22% of Force) | Bond/Angle/Dihedral 6.18 ( 0.35% of Force) | FRC Collect time 384.30 (21.90% of Force) | Other 61.84 ( 3.52% of Force) | Force time 1754.44 (66.16% of Runmd) | Shake time 20.18 ( 0.76% of Runmd) | Verlet update time 172.58 ( 6.51% of Runmd) | Ekcmr time 376.14 (14.19% of Runmd) | CRD distribute time 266.39 (10.05% of Runmd) | Other 61.91 ( 2.33% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 169.59 (56.78% of List ) | Other 129.08 (43.22% of List ) | List time 298.67 (22.93% of Nonbo) | Short_ene time 277.01 (60.30% of Direc) | Other 182.39 (39.70% of Direc) | Direct Ewald time 459.39 (45.78% of Ewald) | Adjust Ewald time 4.07 ( 0.41% of Ewald) | Fill Bspline coeffs 65.22 (16.36% of Recip) | Fill charge grid 12.77 ( 3.20% of Recip) | Scalar sum 13.76 ( 3.45% of Recip) | Grad sum 20.23 ( 5.08% of Recip) | FFT back comm time 201.93 (75.20% of FFT t) | Other 66.58 (24.80% of FFT t) | FFT time 268.50 (67.36% of Recip) | Other 18.10 ( 4.54% of Recip) | Recip Ewald time 398.59 (39.72% of Ewald) | Force Adjust 52.63 ( 5.24% of Ewald) | Virial junk 88.60 ( 8.83% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1003.56 (77.06% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.39 (74.15% of Force) | Bond/Angle/Dihedral 6.22 ( 0.35% of Force) | FRC Collect time 384.78 (21.91% of Force) | Other 62.95 ( 3.58% of Force) | Force time 1756.33 (66.24% of Runmd) | Shake time 19.91 ( 0.75% of Runmd) | Verlet update time 168.70 ( 6.36% of Runmd) | Ekcmr time 377.50 (14.24% of Runmd) | CRD distribute time 264.65 ( 9.98% of Runmd) | Other 64.56 ( 2.43% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 171.50 (57.79% of List ) | Other 125.26 (42.21% of List ) | List time 296.76 (22.79% of Nonbo) | Short_ene time 273.85 (59.79% of Direc) | Other 184.15 (40.21% of Direc) | Direct Ewald time 458.00 (45.56% of Ewald) | Adjust Ewald time 4.23 ( 0.42% of Ewald) | Fill Bspline coeffs 65.09 (16.27% of Recip) | Fill charge grid 13.15 ( 3.29% of Recip) | Scalar sum 13.76 ( 3.44% of Recip) | Grad sum 19.32 ( 4.83% of Recip) | FFT back comm time 202.14 (74.88% of FFT t) | Other 67.80 (25.12% of FFT t) | FFT time 269.94 (67.47% of Recip) | Other 18.84 ( 4.71% of Recip) | Recip Ewald time 400.10 (39.80% of Ewald) | Force Adjust 54.75 ( 5.45% of Ewald) | Virial junk 87.88 ( 8.74% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.22 (77.20% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.15 (74.19% of Force) | Bond/Angle/Dihedral 6.13 ( 0.35% of Force) | FRC Collect time 384.72 (21.92% of Force) | Other 62.09 ( 3.54% of Force) | Force time 1755.09 (66.19% of Runmd) | Shake time 20.04 ( 0.76% of Runmd) | Verlet update time 193.75 ( 7.31% of Runmd) | Ekcmr time 256.95 ( 9.69% of Runmd) | CRD distribute time 377.51 (14.24% of Runmd) | Other 48.33 ( 1.82% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 170.89 (56.97% of List ) | Other 129.07 (43.03% of List ) | List time 299.95 (22.99% of Nonbo) | Short_ene time 270.36 (59.52% of Direc) | Other 183.89 (40.48% of Direc) | Direct Ewald time 454.25 (45.23% of Ewald) | Adjust Ewald time 4.10 ( 0.41% of Ewald) | Fill Bspline coeffs 64.48 (16.14% of Recip) | Fill charge grid 13.60 ( 3.41% of Recip) | Scalar sum 13.76 ( 3.44% of Recip) | Grad sum 20.28 ( 5.08% of Recip) | FFT back comm time 203.07 (75.29% of FFT t) | Other 66.64 (24.71% of FFT t) | FFT time 269.71 (67.52% of Recip) | Other 17.60 ( 4.41% of Recip) | Recip Ewald time 399.43 (39.77% of Ewald) | Force Adjust 57.63 ( 5.74% of Ewald) | Virial junk 88.65 ( 8.83% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1004.33 (76.99% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1304.44 (74.31% of Force) | Bond/Angle/Dihedral 6.15 ( 0.35% of Force) | FRC Collect time 383.81 (21.86% of Force) | Other 61.00 ( 3.48% of Force) | Force time 1755.41 (66.20% of Runmd) | Shake time 20.72 ( 0.78% of Runmd) | Verlet update time 185.16 ( 6.98% of Runmd) | Ekcmr time 347.47 (13.10% of Runmd) | CRD distribute time 276.01 (10.41% of Runmd) | Other 66.88 ( 2.52% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 171.24 (57.72% of List ) | Other 125.41 (42.28% of List ) | List time 296.66 (22.81% of Nonbo) | Short_ene time 271.60 (60.09% of Direc) | Other 180.40 (39.91% of Direc) | Direct Ewald time 452.00 (45.02% of Ewald) | Adjust Ewald time 4.15 ( 0.41% of Ewald) | Fill Bspline coeffs 66.07 (16.56% of Recip) | Fill charge grid 12.14 ( 3.04% of Recip) | Scalar sum 13.74 ( 3.44% of Recip) | Grad sum 20.03 ( 5.02% of Recip) | FFT back comm time 203.38 (75.50% of FFT t) | Other 66.00 (24.50% of FFT t) | FFT time 269.38 (67.51% of Recip) | Other 17.69 ( 4.43% of Recip) | Recip Ewald time 399.05 (39.75% of Ewald) | Force Adjust 60.09 ( 5.98% of Ewald) | Virial junk 88.47 ( 8.81% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1004.00 (77.18% of Nonbo) | Other 0.11 ( 0.01% of Nonbo) | Nonbond force 1300.78 (74.16% of Force) | Bond/Angle/Dihedral 6.10 ( 0.35% of Force) | FRC Collect time 383.73 (21.88% of Force) | Other 63.52 ( 3.62% of Force) | Force time 1754.14 (66.15% of Runmd) | Shake time 20.64 ( 0.78% of Runmd) | Verlet update time 191.12 ( 7.21% of Runmd) | Ekcmr time 292.91 (11.05% of Runmd) | CRD distribute time 337.56 (12.73% of Runmd) | Other 55.29 ( 2.09% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 171.26 (57.04% of List ) | Other 128.97 (42.96% of List ) | List time 300.24 (23.04% of Nonbo) | Short_ene time 266.23 (58.44% of Direc) | Other 189.34 (41.56% of Direc) | Direct Ewald time 455.58 (45.44% of Ewald) | Adjust Ewald time 3.59 ( 0.36% of Ewald) | Fill Bspline coeffs 64.43 (16.20% of Recip) | Fill charge grid 13.07 ( 3.28% of Recip) | Scalar sum 13.65 ( 3.43% of Recip) | Grad sum 20.25 ( 5.09% of Recip) | FFT back comm time 203.60 (75.69% of FFT t) | Other 65.38 (24.31% of FFT t) | FFT time 268.98 (67.63% of Recip) | Other 17.37 ( 4.37% of Recip) | Recip Ewald time 397.74 (39.67% of Ewald) | Force Adjust 57.31 ( 5.72% of Ewald) | Virial junk 88.20 ( 8.80% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1002.65 (76.95% of Nonbo) | Other 0.12 ( 0.01% of Nonbo) | Nonbond force 1303.03 (74.20% of Force) | Bond/Angle/Dihedral 6.19 ( 0.35% of Force) | FRC Collect time 384.35 (21.89% of Force) | Other 62.50 ( 3.56% of Force) | Force time 1756.07 (66.23% of Runmd) | Shake time 20.18 ( 0.76% of Runmd) | Verlet update time 201.77 ( 7.61% of Runmd) | Ekcmr time 282.22 (10.64% of Runmd) | CRD distribute time 337.90 (12.74% of Runmd) | Other 53.52 ( 2.02% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 171.64 (57.74% of List ) | Other 125.63 (42.26% of List ) | List time 297.27 (22.81% of Nonbo) | Short_ene time 271.08 (60.09% of Direc) | Other 180.05 (39.91% of Direc) | Direct Ewald time 451.13 (44.86% of Ewald) | Adjust Ewald time 3.53 ( 0.35% of Ewald) | Fill Bspline coeffs 64.45 (16.10% of Recip) | Fill charge grid 13.51 ( 3.38% of Recip) | Scalar sum 13.69 ( 3.42% of Recip) | Grad sum 19.70 ( 4.92% of Recip) | FFT back comm time 203.87 (75.20% of FFT t) | Other 67.24 (24.80% of FFT t) | FFT time 271.11 (67.72% of Recip) | Other 17.90 ( 4.47% of Recip) | Recip Ewald time 400.36 (39.82% of Ewald) | Force Adjust 61.75 ( 6.14% of Ewald) | Virial junk 88.50 ( 8.80% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1005.55 (77.17% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1302.98 (74.25% of Force) | Bond/Angle/Dihedral 6.17 ( 0.35% of Force) | FRC Collect time 384.24 (21.90% of Force) | Other 61.42 ( 3.50% of Force) | Force time 1754.81 (66.18% of Runmd) | Shake time 20.09 ( 0.76% of Runmd) | Verlet update time 193.85 ( 7.31% of Runmd) | Ekcmr time 252.23 ( 9.51% of Runmd) | CRD distribute time 380.63 (14.35% of Runmd) | Other 50.04 ( 1.89% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 32 | Build the list 170.11 (56.66% of List ) | Other 130.12 (43.34% of List ) | List time 300.22 (23.04% of Nonbo) | Short_ene time 267.74 (59.26% of Direc) | Other 184.04 (40.74% of Direc) | Direct Ewald time 451.79 (45.06% of Ewald) | Adjust Ewald time 3.50 ( 0.35% of Ewald) | Fill Bspline coeffs 65.67 (16.50% of Recip) | Fill charge grid 12.36 ( 3.11% of Recip) | Scalar sum 13.77 ( 3.46% of Recip) | Grad sum 19.87 ( 4.99% of Recip) | FFT back comm time 201.78 (75.46% of FFT t) | Other 65.61 (24.54% of FFT t) | FFT time 267.39 (67.18% of Recip) | Other 18.96 ( 4.76% of Recip) | Recip Ewald time 398.01 (39.69% of Ewald) | Force Adjust 60.73 ( 6.06% of Ewald) | Virial junk 88.45 ( 8.82% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1002.72 (76.95% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.10 (76.15% of Force) | Bond/Angle/Dihedral 6.13 ( 0.36% of Force) | FRC Collect time 339.14 (19.82% of Force) | Other 62.81 ( 3.67% of Force) | Force time 1711.18 (64.53% of Runmd) | Shake time 20.48 ( 0.77% of Runmd) | Verlet update time 228.05 ( 8.60% of Runmd) | Ekcmr time 296.63 (11.19% of Runmd) | CRD distribute time 316.34 (11.93% of Runmd) | Other 78.96 ( 2.98% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 33 | Build the list 169.89 (56.32% of List ) | Other 131.78 (43.68% of List ) | List time 301.66 (23.15% of Nonbo) | Short_ene time 267.30 (58.76% of Direc) | Other 187.63 (41.24% of Direc) | Direct Ewald time 454.93 (45.44% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 67.39 (17.01% of Recip) | Fill charge grid 11.25 ( 2.84% of Recip) | Scalar sum 13.76 ( 3.47% of Recip) | Grad sum 19.72 ( 4.98% of Recip) | FFT back comm time 201.86 (76.13% of FFT t) | Other 63.30 (23.87% of FFT t) | FFT time 265.16 (66.91% of Recip) | Other 19.00 ( 4.79% of Recip) | Recip Ewald time 396.28 (39.58% of Ewald) | Force Adjust 57.84 ( 5.78% of Ewald) | Virial junk 88.38 ( 8.83% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1001.18 (76.84% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1303.00 (76.19% of Force) | Bond/Angle/Dihedral 6.07 ( 0.36% of Force) | FRC Collect time 339.15 (19.83% of Force) | Other 61.94 ( 3.62% of Force) | Force time 1710.15 (64.49% of Runmd) | Shake time 20.49 ( 0.77% of Runmd) | Verlet update time 236.82 ( 8.93% of Runmd) | Ekcmr time 266.97 (10.07% of Runmd) | CRD distribute time 339.22 (12.79% of Runmd) | Other 78.00 ( 2.94% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 34 | Build the list 172.04 (57.27% of List ) | Other 128.36 (42.73% of List ) | List time 300.40 (23.00% of Nonbo) | Short_ene time 278.92 (60.35% of Direc) | Other 183.22 (39.65% of Direc) | Direct Ewald time 462.15 (45.95% of Ewald) | Adjust Ewald time 3.45 ( 0.34% of Ewald) | Fill Bspline coeffs 65.07 (16.23% of Recip) | Fill charge grid 12.46 ( 3.11% of Recip) | Scalar sum 13.76 ( 3.43% of Recip) | Grad sum 19.64 ( 4.90% of Recip) | FFT back comm time 202.07 (74.57% of FFT t) | Other 68.91 (25.43% of FFT t) | FFT time 270.98 (67.59% of Recip) | Other 19.02 ( 4.74% of Recip) | Recip Ewald time 400.94 (39.86% of Ewald) | Force Adjust 50.58 ( 5.03% of Ewald) | Virial junk 88.40 ( 8.79% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.77 (76.99% of Nonbo) | Other 0.11 ( 0.01% of Nonbo) | Nonbond force 1306.31 (76.33% of Force) | Bond/Angle/Dihedral 6.12 ( 0.36% of Force) | FRC Collect time 339.22 (19.82% of Force) | Other 59.69 ( 3.49% of Force) | Force time 1711.35 (64.54% of Runmd) | Shake time 19.99 ( 0.75% of Runmd) | Verlet update time 212.02 ( 8.00% of Runmd) | Ekcmr time 355.60 (13.41% of Runmd) | CRD distribute time 292.12 (11.02% of Runmd) | Other 60.57 ( 2.28% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 35 | Build the list 171.30 (56.93% of List ) | Other 129.58 (43.07% of List ) | List time 300.88 (23.05% of Nonbo) | Short_ene time 266.07 (59.57% of Direc) | Other 180.61 (40.43% of Direc) | Direct Ewald time 446.68 (44.48% of Ewald) | Adjust Ewald time 3.52 ( 0.35% of Ewald) | Fill Bspline coeffs 65.98 (16.51% of Recip) | Fill charge grid 12.42 ( 3.11% of Recip) | Scalar sum 13.75 ( 3.44% of Recip) | Grad sum 19.88 ( 4.98% of Recip) | FFT back comm time 202.40 (75.25% of FFT t) | Other 66.58 (24.75% of FFT t) | FFT time 268.98 (67.32% of Recip) | Other 18.56 ( 4.65% of Recip) | Recip Ewald time 399.57 (39.79% of Ewald) | Force Adjust 66.61 ( 6.63% of Ewald) | Virial junk 87.60 ( 8.72% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.25 (76.94% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.29 (76.33% of Force) | Bond/Angle/Dihedral 6.12 ( 0.36% of Force) | FRC Collect time 339.18 (19.83% of Force) | Other 59.57 ( 3.48% of Force) | Force time 1710.16 (64.49% of Runmd) | Shake time 20.09 ( 0.76% of Runmd) | Verlet update time 251.53 ( 9.49% of Runmd) | Ekcmr time 220.47 ( 8.31% of Runmd) | CRD distribute time 379.11 (14.30% of Runmd) | Other 70.30 ( 2.65% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 36 | Build the list 171.15 (56.82% of List ) | Other 130.06 (43.18% of List ) | List time 301.21 (23.07% of Nonbo) | Short_ene time 265.51 (58.55% of Direc) | Other 187.96 (41.45% of Direc) | Direct Ewald time 453.47 (45.14% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 65.57 (16.41% of Recip) | Fill charge grid 12.93 ( 3.24% of Recip) | Scalar sum 13.67 ( 3.42% of Recip) | Grad sum 20.36 ( 5.09% of Recip) | FFT back comm time 203.28 (75.45% of FFT t) | Other 66.15 (24.55% of FFT t) | FFT time 269.42 (67.41% of Recip) | Other 17.73 ( 4.44% of Recip) | Recip Ewald time 399.69 (39.79% of Ewald) | Force Adjust 59.01 ( 5.87% of Ewald) | Virial junk 88.53 ( 8.81% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.16 ( 0.02% of Ewald) | Ewald time 1004.49 (76.92% of Nonbo) | Other 0.16 ( 0.01% of Nonbo) | Nonbond force 1305.89 (76.32% of Force) | Bond/Angle/Dihedral 6.11 ( 0.36% of Force) | FRC Collect time 339.04 (19.81% of Force) | Other 60.08 ( 3.51% of Force) | Force time 1711.11 (64.53% of Runmd) | Shake time 20.54 ( 0.77% of Runmd) | Verlet update time 250.25 ( 9.44% of Runmd) | Ekcmr time 253.34 ( 9.55% of Runmd) | CRD distribute time 343.80 (12.97% of Runmd) | Other 72.62 ( 2.74% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 37 | Build the list 170.37 (57.00% of List ) | Other 128.53 (43.00% of List ) | List time 298.90 (22.93% of Nonbo) | Short_ene time 270.28 (59.64% of Direc) | Other 182.92 (40.36% of Direc) | Direct Ewald time 453.20 (45.11% of Ewald) | Adjust Ewald time 3.50 ( 0.35% of Ewald) | Fill Bspline coeffs 65.86 (16.47% of Recip) | Fill charge grid 13.05 ( 3.26% of Recip) | Scalar sum 13.65 ( 3.41% of Recip) | Grad sum 20.37 ( 5.09% of Recip) | FFT back comm time 203.42 (75.57% of FFT t) | Other 65.76 (24.43% of FFT t) | FFT time 269.18 (67.32% of Recip) | Other 17.73 ( 4.44% of Recip) | Recip Ewald time 399.84 (39.80% of Ewald) | Force Adjust 59.96 ( 5.97% of Ewald) | Virial junk 87.79 ( 8.74% of Ewald) | Start sycnronization 0.11 ( 0.01% of Ewald) | Other 0.16 ( 0.02% of Ewald) | Ewald time 1004.58 (77.06% of Nonbo) | Other 0.16 ( 0.01% of Nonbo) | Nonbond force 1303.67 (76.24% of Force) | Bond/Angle/Dihedral 6.20 ( 0.36% of Force) | FRC Collect time 338.96 (19.82% of Force) | Other 61.18 ( 3.58% of Force) | Force time 1710.02 (64.49% of Runmd) | Shake time 20.48 ( 0.77% of Runmd) | Verlet update time 250.20 ( 9.44% of Runmd) | Ekcmr time 241.88 ( 9.12% of Runmd) | CRD distribute time 354.52 (13.37% of Runmd) | Other 74.55 ( 2.81% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 38 | Build the list 171.78 (57.99% of List ) | Other 124.45 (42.01% of List ) | List time 296.23 (22.75% of Nonbo) | Short_ene time 274.90 (60.13% of Direc) | Other 182.25 (39.87% of Direc) | Direct Ewald time 457.15 (45.45% of Ewald) | Adjust Ewald time 3.52 ( 0.35% of Ewald) | Fill Bspline coeffs 65.46 (16.32% of Recip) | Fill charge grid 12.64 ( 3.15% of Recip) | Scalar sum 13.66 ( 3.41% of Recip) | Grad sum 20.01 ( 4.99% of Recip) | FFT back comm time 203.68 (75.08% of FFT t) | Other 67.61 (24.92% of FFT t) | FFT time 271.29 (67.64% of Recip) | Other 18.00 ( 4.49% of Recip) | Recip Ewald time 401.06 (39.88% of Ewald) | Force Adjust 55.47 ( 5.51% of Ewald) | Virial junk 88.32 ( 8.78% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.76 (77.24% of Nonbo) | Other 0.10 ( 0.01% of Nonbo) | Nonbond force 1302.12 (76.10% of Force) | Bond/Angle/Dihedral 6.17 ( 0.36% of Force) | FRC Collect time 339.05 (19.81% of Force) | Other 63.83 ( 3.73% of Force) | Force time 1711.16 (64.53% of Runmd) | Shake time 20.20 ( 0.76% of Runmd) | Verlet update time 235.53 ( 8.88% of Runmd) | Ekcmr time 268.44 (10.12% of Runmd) | CRD distribute time 352.13 (13.28% of Runmd) | Other 64.19 ( 2.42% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 39 | Build the list 170.87 (57.18% of List ) | Other 127.96 (42.82% of List ) | List time 298.83 (22.93% of Nonbo) | Short_ene time 270.38 (59.57% of Direc) | Other 183.53 (40.43% of Direc) | Direct Ewald time 453.91 (45.20% of Ewald) | Adjust Ewald time 3.49 ( 0.35% of Ewald) | Fill Bspline coeffs 65.98 (16.51% of Recip) | Fill charge grid 12.41 ( 3.10% of Recip) | Scalar sum 13.64 ( 3.41% of Recip) | Grad sum 20.36 ( 5.09% of Recip) | FFT back comm time 204.03 (75.70% of FFT t) | Other 65.51 (24.30% of FFT t) | FFT time 269.54 (67.46% of Recip) | Other 17.65 ( 4.42% of Recip) | Recip Ewald time 399.57 (39.79% of Ewald) | Force Adjust 59.07 ( 5.88% of Ewald) | Virial junk 87.86 ( 8.75% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1004.15 (77.06% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.14 (76.20% of Force) | Bond/Angle/Dihedral 6.16 ( 0.36% of Force) | FRC Collect time 338.97 (19.82% of Force) | Other 61.81 ( 3.61% of Force) | Force time 1710.08 (64.49% of Runmd) | Shake time 20.30 ( 0.77% of Runmd) | Verlet update time 254.36 ( 9.59% of Runmd) | Ekcmr time 217.61 ( 8.21% of Runmd) | CRD distribute time 382.40 (14.42% of Runmd) | Other 66.90 ( 2.52% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.96 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 40 | Build the list 171.21 (57.51% of List ) | Other 126.51 (42.49% of List ) | List time 297.73 (22.83% of Nonbo) | Short_ene time 268.74 (59.81% of Direc) | Other 180.61 (40.19% of Direc) | Direct Ewald time 449.34 (44.67% of Ewald) | Adjust Ewald time 3.57 ( 0.35% of Ewald) | Fill Bspline coeffs 66.46 (16.56% of Recip) | Fill charge grid 11.57 ( 2.88% of Recip) | Scalar sum 13.78 ( 3.43% of Recip) | Grad sum 19.79 ( 4.93% of Recip) | FFT back comm time 202.35 (74.80% of FFT t) | Other 68.16 (25.20% of FFT t) | FFT time 270.50 (67.41% of Recip) | Other 19.19 ( 4.78% of Recip) | Recip Ewald time 401.28 (39.89% of Ewald) | Force Adjust 62.21 ( 6.18% of Ewald) | Virial junk 89.28 ( 8.88% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.93 (77.15% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.82 (76.19% of Force) | Bond/Angle/Dihedral 6.09 ( 0.36% of Force) | FRC Collect time 339.42 (19.84% of Force) | Other 61.88 ( 3.62% of Force) | Force time 1711.21 (64.53% of Runmd) | Shake time 19.84 ( 0.75% of Runmd) | Verlet update time 193.16 ( 7.28% of Runmd) | Ekcmr time 464.79 (17.53% of Runmd) | CRD distribute time 229.21 ( 8.64% of Runmd) | Other 33.44 ( 1.26% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 41 | Build the list 169.97 (56.78% of List ) | Other 129.39 (43.22% of List ) | List time 299.36 (22.99% of Nonbo) | Short_ene time 266.82 (58.97% of Direc) | Other 185.61 (41.03% of Direc) | Direct Ewald time 452.44 (45.13% of Ewald) | Adjust Ewald time 3.54 ( 0.35% of Ewald) | Fill Bspline coeffs 66.16 (16.64% of Recip) | Fill charge grid 10.93 ( 2.75% of Recip) | Scalar sum 13.77 ( 3.46% of Recip) | Grad sum 20.03 ( 5.04% of Recip) | FFT back comm time 202.44 (75.57% of FFT t) | Other 65.44 (24.43% of FFT t) | FFT time 267.88 (67.39% of Recip) | Other 18.74 ( 4.71% of Recip) | Recip Ewald time 397.52 (39.65% of Ewald) | Force Adjust 60.10 ( 5.99% of Ewald) | Virial junk 88.72 ( 8.85% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1002.55 (77.00% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.06 (76.16% of Force) | Bond/Angle/Dihedral 6.06 ( 0.35% of Force) | FRC Collect time 339.45 (19.85% of Force) | Other 62.13 ( 3.63% of Force) | Force time 1709.70 (64.48% of Runmd) | Shake time 20.43 ( 0.77% of Runmd) | Verlet update time 216.51 ( 8.17% of Runmd) | Ekcmr time 335.49 (12.65% of Runmd) | CRD distribute time 313.62 (11.83% of Runmd) | Other 55.89 ( 2.11% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.59 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 42 | Build the list 171.69 (57.68% of List ) | Other 125.97 (42.32% of List ) | List time 297.66 (22.80% of Nonbo) | Short_ene time 268.32 (58.91% of Direc) | Other 187.15 (41.09% of Direc) | Direct Ewald time 455.47 (45.20% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 65.75 (16.32% of Recip) | Fill charge grid 13.52 ( 3.36% of Recip) | Scalar sum 13.75 ( 3.41% of Recip) | Grad sum 20.76 ( 5.15% of Recip) | FFT back comm time 202.73 (74.78% of FFT t) | Other 68.36 (25.22% of FFT t) | FFT time 271.10 (67.28% of Recip) | Other 18.07 ( 4.48% of Recip) | Recip Ewald time 402.95 (39.99% of Ewald) | Force Adjust 57.02 ( 5.66% of Ewald) | Virial junk 88.36 ( 8.77% of Ewald) | Start sycnronization 0.11 ( 0.01% of Ewald) | Other 0.16 ( 0.02% of Ewald) | Ewald time 1007.60 (77.18% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1305.44 (76.27% of Force) | Bond/Angle/Dihedral 6.23 ( 0.36% of Force) | FRC Collect time 339.64 (19.84% of Force) | Other 60.19 ( 3.52% of Force) | Force time 1711.50 (64.54% of Runmd) | Shake time 20.30 ( 0.77% of Runmd) | Verlet update time 214.31 ( 8.08% of Runmd) | Ekcmr time 357.76 (13.49% of Runmd) | CRD distribute time 288.78 (10.89% of Runmd) | Other 59.00 ( 2.23% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 43 | Build the list 172.53 (58.12% of List ) | Other 124.34 (41.88% of List ) | List time 296.86 (22.76% of Nonbo) | Short_ene time 285.87 (61.49% of Direc) | Other 179.03 (38.51% of Direc) | Direct Ewald time 464.90 (46.16% of Ewald) | Adjust Ewald time 3.42 ( 0.34% of Ewald) | Fill Bspline coeffs 64.71 (16.08% of Recip) | Fill charge grid 12.79 ( 3.18% of Recip) | Scalar sum 13.73 ( 3.41% of Recip) | Grad sum 20.35 ( 5.06% of Recip) | FFT back comm time 203.03 (74.48% of FFT t) | Other 69.55 (25.52% of FFT t) | FFT time 272.58 (67.73% of Recip) | Other 18.29 ( 4.54% of Recip) | Recip Ewald time 402.44 (39.96% of Ewald) | Force Adjust 48.05 ( 4.77% of Ewald) | Virial junk 88.11 ( 8.75% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1007.20 (77.23% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1304.22 (76.26% of Force) | Bond/Angle/Dihedral 6.15 ( 0.36% of Force) | FRC Collect time 339.57 (19.86% of Force) | Other 60.21 ( 3.52% of Force) | Force time 1710.15 (64.49% of Runmd) | Shake time 19.85 ( 0.75% of Runmd) | Verlet update time 244.74 ( 9.23% of Runmd) | Ekcmr time 241.48 ( 9.11% of Runmd) | CRD distribute time 389.46 (14.69% of Runmd) | Other 45.99 ( 1.73% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 44 | Build the list 171.06 (57.27% of List ) | Other 127.60 (42.73% of List ) | List time 298.66 (22.91% of Nonbo) | Short_ene time 269.18 (59.72% of Direc) | Other 181.58 (40.28% of Direc) | Direct Ewald time 450.75 (44.86% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 65.79 (16.44% of Recip) | Fill charge grid 12.36 ( 3.09% of Recip) | Scalar sum 13.72 ( 3.43% of Recip) | Grad sum 20.26 ( 5.06% of Recip) | FFT back comm time 203.77 (75.44% of FFT t) | Other 66.34 (24.56% of FFT t) | FFT time 270.11 (67.48% of Recip) | Other 18.02 ( 4.50% of Recip) | Recip Ewald time 400.27 (39.83% of Ewald) | Force Adjust 61.59 ( 6.13% of Ewald) | Virial junk 88.47 ( 8.80% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.02% of Ewald) | Ewald time 1004.89 (77.08% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.72 (76.20% of Force) | Bond/Angle/Dihedral 6.20 ( 0.36% of Force) | FRC Collect time 339.14 (19.82% of Force) | Other 61.94 ( 3.62% of Force) | Force time 1711.00 (64.53% of Runmd) | Shake time 20.55 ( 0.77% of Runmd) | Verlet update time 220.42 ( 8.31% of Runmd) | Ekcmr time 314.03 (11.84% of Runmd) | CRD distribute time 324.72 (12.25% of Runmd) | Other 60.94 ( 2.30% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 45 | Build the list 170.77 (57.17% of List ) | Other 127.94 (42.83% of List ) | List time 298.71 (22.94% of Nonbo) | Short_ene time 272.50 (59.80% of Direc) | Other 183.20 (40.20% of Direc) | Direct Ewald time 455.71 (45.43% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 66.68 (16.73% of Recip) | Fill charge grid 11.38 ( 2.86% of Recip) | Scalar sum 13.68 ( 3.43% of Recip) | Grad sum 19.99 ( 5.01% of Recip) | FFT back comm time 204.09 (75.94% of FFT t) | Other 64.65 (24.06% of FFT t) | FFT time 268.74 (67.43% of Recip) | Other 18.09 ( 4.54% of Recip) | Recip Ewald time 398.55 (39.73% of Ewald) | Force Adjust 56.79 ( 5.66% of Ewald) | Virial junk 88.33 ( 8.81% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1003.12 (77.05% of Nonbo) | Other 0.12 ( 0.01% of Nonbo) | Nonbond force 1301.98 (76.16% of Force) | Bond/Angle/Dihedral 6.25 ( 0.37% of Force) | FRC Collect time 339.08 (19.83% of Force) | Other 62.27 ( 3.64% of Force) | Force time 1709.58 (64.47% of Runmd) | Shake time 20.30 ( 0.77% of Runmd) | Verlet update time 234.03 ( 8.83% of Runmd) | Ekcmr time 261.30 ( 9.85% of Runmd) | CRD distribute time 360.74 (13.60% of Runmd) | Other 65.71 ( 2.48% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 46 | Build the list 173.23 (58.27% of List ) | Other 124.04 (41.73% of List ) | List time 297.27 (22.80% of Nonbo) | Short_ene time 294.15 (62.20% of Direc) | Other 178.74 (37.80% of Direc) | Direct Ewald time 472.89 (47.00% of Ewald) | Adjust Ewald time 3.41 ( 0.34% of Ewald) | Fill Bspline coeffs 63.18 (15.73% of Recip) | Fill charge grid 13.34 ( 3.32% of Recip) | Scalar sum 13.66 ( 3.40% of Recip) | Grad sum 20.12 ( 5.01% of Recip) | FFT back comm time 204.46 (74.74% of FFT t) | Other 69.11 (25.26% of FFT t) | FFT time 273.57 (68.09% of Recip) | Other 17.89 ( 4.45% of Recip) | Recip Ewald time 401.76 (39.93% of Ewald) | Force Adjust 39.21 ( 3.90% of Ewald) | Virial junk 88.61 ( 8.81% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1006.12 (77.18% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.55 (76.18% of Force) | Bond/Angle/Dihedral 6.30 ( 0.37% of Force) | FRC Collect time 339.29 (19.83% of Force) | Other 62.11 ( 3.63% of Force) | Force time 1711.25 (64.54% of Runmd) | Shake time 19.87 ( 0.75% of Runmd) | Verlet update time 216.57 ( 8.17% of Runmd) | Ekcmr time 286.01 (10.79% of Runmd) | CRD distribute time 370.37 (13.97% of Runmd) | Other 47.59 ( 1.79% of Runmd) | Runmd Time 2651.66 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 47 | Build the list 170.73 (56.91% of List ) | Other 129.29 (43.09% of List ) | List time 300.02 (23.02% of Nonbo) | Short_ene time 267.76 (59.13% of Direc) | Other 185.09 (40.87% of Direc) | Direct Ewald time 452.85 (45.14% of Ewald) | Adjust Ewald time 3.50 ( 0.35% of Ewald) | Fill Bspline coeffs 65.52 (16.44% of Recip) | Fill charge grid 11.95 ( 3.00% of Recip) | Scalar sum 13.67 ( 3.43% of Recip) | Grad sum 20.29 ( 5.09% of Recip) | FFT back comm time 204.54 (75.95% of FFT t) | Other 64.77 (24.05% of FFT t) | FFT time 269.31 (67.59% of Recip) | Other 17.71 ( 4.45% of Recip) | Recip Ewald time 398.46 (39.72% of Ewald) | Force Adjust 59.72 ( 5.95% of Ewald) | Virial junk 88.35 ( 8.81% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1003.13 (76.97% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.32 (76.22% of Force) | Bond/Angle/Dihedral 6.23 ( 0.36% of Force) | FRC Collect time 339.20 (19.84% of Force) | Other 61.23 ( 3.58% of Force) | Force time 1709.98 (64.49% of Runmd) | Shake time 20.66 ( 0.78% of Runmd) | Verlet update time 243.49 ( 9.18% of Runmd) | Ekcmr time 239.90 ( 9.05% of Runmd) | CRD distribute time 386.87 (14.59% of Runmd) | Other 50.76 ( 1.91% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 48 | Build the list 171.14 (57.21% of List ) | Other 128.01 (42.79% of List ) | List time 299.15 (22.93% of Nonbo) | Short_ene time 273.76 (60.01% of Direc) | Other 182.44 (39.99% of Direc) | Direct Ewald time 456.20 (45.37% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 65.96 (16.46% of Recip) | Fill charge grid 12.10 ( 3.02% of Recip) | Scalar sum 13.75 ( 3.43% of Recip) | Grad sum 19.76 ( 4.93% of Recip) | FFT back comm time 203.13 (75.19% of FFT t) | Other 67.04 (24.81% of FFT t) | FFT time 270.17 (67.42% of Recip) | Other 18.98 ( 4.74% of Recip) | Recip Ewald time 400.71 (39.85% of Ewald) | Force Adjust 54.85 ( 5.45% of Ewald) | Virial junk 90.00 ( 8.95% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.54 (77.06% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1304.85 (76.26% of Force) | Bond/Angle/Dihedral 6.09 ( 0.36% of Force) | FRC Collect time 339.75 (19.86% of Force) | Other 60.46 ( 3.53% of Force) | Force time 1711.16 (64.53% of Runmd) | Shake time 20.07 ( 0.76% of Runmd) | Verlet update time 198.06 ( 7.47% of Runmd) | Ekcmr time 445.73 (16.81% of Runmd) | CRD distribute time 232.66 ( 8.77% of Runmd) | Other 43.96 ( 1.66% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 49 | Build the list 171.18 (57.33% of List ) | Other 127.39 (42.67% of List ) | List time 298.57 (22.93% of Nonbo) | Short_ene time 299.79 (62.48% of Direc) | Other 180.05 (37.52% of Direc) | Direct Ewald time 479.84 (47.84% of Ewald) | Adjust Ewald time 3.47 ( 0.35% of Ewald) | Fill Bspline coeffs 67.10 (16.85% of Recip) | Fill charge grid 11.50 ( 2.89% of Recip) | Scalar sum 13.76 ( 3.45% of Recip) | Grad sum 20.06 ( 5.04% of Recip) | FFT back comm time 203.36 (76.08% of FFT t) | Other 63.96 (23.92% of FFT t) | FFT time 267.32 (67.12% of Recip) | Other 18.52 ( 4.65% of Recip) | Recip Ewald time 398.25 (39.70% of Ewald) | Force Adjust 32.22 ( 3.21% of Ewald) | Virial junk 89.09 ( 8.88% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1003.11 (77.05% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.84 (76.14% of Force) | Bond/Angle/Dihedral 6.17 ( 0.36% of Force) | FRC Collect time 339.77 (19.87% of Force) | Other 62.03 ( 3.63% of Force) | Force time 1709.82 (64.48% of Runmd) | Shake time 20.30 ( 0.77% of Runmd) | Verlet update time 224.05 ( 8.45% of Runmd) | Ekcmr time 327.02 (12.33% of Runmd) | CRD distribute time 309.30 (11.66% of Runmd) | Other 61.16 ( 2.31% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 50 | Build the list 171.51 (56.91% of List ) | Other 129.85 (43.09% of List ) | List time 301.36 (23.09% of Nonbo) | Short_ene time 269.61 (59.77% of Direc) | Other 181.48 (40.23% of Direc) | Direct Ewald time 451.09 (44.95% of Ewald) | Adjust Ewald time 3.54 ( 0.35% of Ewald) | Fill Bspline coeffs 66.29 (16.62% of Recip) | Fill charge grid 11.80 ( 2.96% of Recip) | Scalar sum 13.76 ( 3.45% of Recip) | Grad sum 19.84 ( 4.98% of Recip) | FFT back comm time 203.63 (75.84% of FFT t) | Other 64.88 (24.16% of FFT t) | FFT time 268.51 (67.32% of Recip) | Other 18.66 ( 4.68% of Recip) | Recip Ewald time 398.86 (39.74% of Ewald) | Force Adjust 60.66 ( 6.04% of Ewald) | Virial junk 89.17 ( 8.89% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.59 (76.90% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1305.12 (76.27% of Force) | Bond/Angle/Dihedral 6.14 ( 0.36% of Force) | FRC Collect time 339.75 (19.85% of Force) | Other 60.16 ( 3.52% of Force) | Force time 1711.17 (64.53% of Runmd) | Shake time 20.47 ( 0.77% of Runmd) | Verlet update time 198.70 ( 7.49% of Runmd) | Ekcmr time 432.80 (16.32% of Runmd) | CRD distribute time 245.98 ( 9.28% of Runmd) | Other 42.52 ( 1.60% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 51 | Build the list 170.54 (56.92% of List ) | Other 129.08 (43.08% of List ) | List time 299.61 (23.01% of Nonbo) | Short_ene time 275.21 (59.69% of Direc) | Other 185.87 (40.31% of Direc) | Direct Ewald time 461.08 (46.01% of Ewald) | Adjust Ewald time 3.46 ( 0.34% of Ewald) | Fill Bspline coeffs 66.62 (16.76% of Recip) | Fill charge grid 11.29 ( 2.84% of Recip) | Scalar sum 13.75 ( 3.46% of Recip) | Grad sum 19.81 ( 4.98% of Recip) | FFT back comm time 203.77 (76.20% of FFT t) | Other 63.63 (23.80% of FFT t) | FFT time 267.39 (67.28% of Recip) | Other 18.58 ( 4.67% of Recip) | Recip Ewald time 397.45 (39.66% of Ewald) | Force Adjust 51.91 ( 5.18% of Ewald) | Virial junk 88.02 ( 8.78% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1002.15 (76.97% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.93 (76.14% of Force) | Bond/Angle/Dihedral 6.19 ( 0.36% of Force) | FRC Collect time 339.69 (19.87% of Force) | Other 62.02 ( 3.63% of Force) | Force time 1709.83 (64.48% of Runmd) | Shake time 20.59 ( 0.78% of Runmd) | Verlet update time 233.41 ( 8.80% of Runmd) | Ekcmr time 264.71 ( 9.98% of Runmd) | CRD distribute time 373.61 (14.09% of Runmd) | Other 49.51 ( 1.87% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 52 | Build the list 170.76 (56.78% of List ) | Other 130.01 (43.22% of List ) | List time 300.77 (23.04% of Nonbo) | Short_ene time 307.32 (62.95% of Direc) | Other 180.91 (37.05% of Direc) | Direct Ewald time 488.23 (48.62% of Ewald) | Adjust Ewald time 3.43 ( 0.34% of Ewald) | Fill Bspline coeffs 66.55 (16.66% of Recip) | Fill charge grid 12.31 ( 3.08% of Recip) | Scalar sum 13.68 ( 3.42% of Recip) | Grad sum 19.80 ( 4.96% of Recip) | FFT back comm time 204.56 (76.08% of FFT t) | Other 64.31 (23.92% of FFT t) | FFT time 268.87 (67.30% of Recip) | Other 18.32 ( 4.58% of Recip) | Recip Ewald time 399.54 (39.78% of Ewald) | Force Adjust 23.16 ( 2.31% of Ewald) | Virial junk 89.64 ( 8.93% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.26 (76.94% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1305.20 (76.29% of Force) | Bond/Angle/Dihedral 6.15 ( 0.36% of Force) | FRC Collect time 339.38 (19.84% of Force) | Other 60.11 ( 3.51% of Force) | Force time 1710.85 (64.52% of Runmd) | Shake time 20.49 ( 0.77% of Runmd) | Verlet update time 231.28 ( 8.72% of Runmd) | Ekcmr time 310.74 (11.72% of Runmd) | CRD distribute time 316.93 (11.95% of Runmd) | Other 61.35 ( 2.31% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 53 | Build the list 171.41 (57.34% of List ) | Other 127.54 (42.66% of List ) | List time 298.94 (22.94% of Nonbo) | Short_ene time 276.33 (60.73% of Direc) | Other 178.71 (39.27% of Direc) | Direct Ewald time 455.04 (45.31% of Ewald) | Adjust Ewald time 3.52 ( 0.35% of Ewald) | Fill Bspline coeffs 66.17 (16.56% of Recip) | Fill charge grid 11.86 ( 2.97% of Recip) | Scalar sum 13.69 ( 3.43% of Recip) | Grad sum 19.73 ( 4.94% of Recip) | FFT back comm time 204.94 (75.96% of FFT t) | Other 64.85 (24.04% of FFT t) | FFT time 269.79 (67.54% of Recip) | Other 18.23 ( 4.56% of Recip) | Recip Ewald time 399.47 (39.77% of Ewald) | Force Adjust 57.67 ( 5.74% of Ewald) | Virial junk 88.37 ( 8.80% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.32 (77.05% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.43 (76.25% of Force) | Bond/Angle/Dihedral 6.13 ( 0.36% of Force) | FRC Collect time 339.31 (19.85% of Force) | Other 60.64 ( 3.55% of Force) | Force time 1709.51 (64.47% of Runmd) | Shake time 20.33 ( 0.77% of Runmd) | Verlet update time 226.74 ( 8.55% of Runmd) | Ekcmr time 299.80 (11.31% of Runmd) | CRD distribute time 337.69 (12.74% of Runmd) | Other 57.60 ( 2.17% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 54 | Build the list 172.41 (57.84% of List ) | Other 125.70 (42.16% of List ) | List time 298.11 (22.85% of Nonbo) | Short_ene time 276.58 (60.39% of Direc) | Other 181.39 (39.61% of Direc) | Direct Ewald time 457.97 (45.51% of Ewald) | Adjust Ewald time 3.48 ( 0.35% of Ewald) | Fill Bspline coeffs 63.15 (15.72% of Recip) | Fill charge grid 13.37 ( 3.33% of Recip) | Scalar sum 13.66 ( 3.40% of Recip) | Grad sum 19.56 ( 4.87% of Recip) | FFT back comm time 205.14 (74.96% of FFT t) | Other 68.51 (25.04% of FFT t) | FFT time 273.65 (68.11% of Recip) | Other 18.37 ( 4.57% of Recip) | Recip Ewald time 401.76 (39.92% of Ewald) | Force Adjust 53.46 ( 5.31% of Ewald) | Virial junk 89.40 ( 8.88% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1006.35 (77.14% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1304.63 (76.26% of Force) | Bond/Angle/Dihedral 6.19 ( 0.36% of Force) | FRC Collect time 339.31 (19.83% of Force) | Other 60.65 ( 3.54% of Force) | Force time 1710.78 (64.52% of Runmd) | Shake time 20.26 ( 0.76% of Runmd) | Verlet update time 224.09 ( 8.45% of Runmd) | Ekcmr time 315.51 (11.90% of Runmd) | CRD distribute time 328.13 (12.37% of Runmd) | Other 52.89 ( 1.99% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 55 | Build the list 170.48 (57.52% of List ) | Other 125.91 (42.48% of List ) | List time 296.39 (22.77% of Nonbo) | Short_ene time 298.01 (62.52% of Direc) | Other 178.63 (37.48% of Direc) | Direct Ewald time 476.64 (47.43% of Ewald) | Adjust Ewald time 3.41 ( 0.34% of Ewald) | Fill Bspline coeffs 64.55 (16.12% of Recip) | Fill charge grid 12.59 ( 3.14% of Recip) | Scalar sum 13.67 ( 3.41% of Recip) | Grad sum 19.70 ( 4.92% of Recip) | FFT back comm time 205.23 (75.54% of FFT t) | Other 66.46 (24.46% of FFT t) | FFT time 271.69 (67.86% of Recip) | Other 18.16 ( 4.54% of Recip) | Recip Ewald time 400.36 (39.84% of Ewald) | Force Adjust 35.31 ( 3.51% of Ewald) | Virial junk 89.04 ( 8.86% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1005.00 (77.22% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1301.55 (76.13% of Force) | Bond/Angle/Dihedral 6.14 ( 0.36% of Force) | FRC Collect time 339.24 (19.84% of Force) | Other 62.71 ( 3.67% of Force) | Force time 1709.64 (64.47% of Runmd) | Shake time 20.34 ( 0.77% of Runmd) | Verlet update time 230.39 ( 8.69% of Runmd) | Ekcmr time 269.47 (10.16% of Runmd) | CRD distribute time 380.14 (14.34% of Runmd) | Other 41.67 ( 1.57% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 56 | Build the list 170.69 (56.48% of List ) | Other 131.54 (43.52% of List ) | List time 302.23 (23.15% of Nonbo) | Short_ene time 275.13 (60.01% of Direc) | Other 183.36 (39.99% of Direc) | Direct Ewald time 458.49 (45.71% of Ewald) | Adjust Ewald time 3.51 ( 0.35% of Ewald) | Fill Bspline coeffs 66.37 (16.66% of Recip) | Fill charge grid 11.50 ( 2.89% of Recip) | Scalar sum 13.76 ( 3.45% of Recip) | Grad sum 19.29 ( 4.84% of Recip) | FFT back comm time 203.24 (75.97% of FFT t) | Other 64.29 (24.03% of FFT t) | FFT time 267.54 (67.14% of Recip) | Other 19.99 ( 5.02% of Recip) | Recip Ewald time 398.45 (39.72% of Ewald) | Force Adjust 53.02 ( 5.29% of Ewald) | Virial junk 89.32 ( 8.90% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1003.03 (76.84% of Nonbo) | Other 0.12 ( 0.01% of Nonbo) | Nonbond force 1305.41 (76.27% of Force) | Bond/Angle/Dihedral 6.71 ( 0.39% of Force) | FRC Collect time 340.35 (19.88% of Force) | Other 59.20 ( 3.46% of Force) | Force time 1711.66 (64.55% of Runmd) | Shake time 20.15 ( 0.76% of Runmd) | Verlet update time 214.21 ( 8.08% of Runmd) | Ekcmr time 375.79 (14.17% of Runmd) | CRD distribute time 263.17 ( 9.92% of Runmd) | Other 66.66 ( 2.51% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 57 | Build the list 171.24 (57.31% of List ) | Other 127.54 (42.69% of List ) | List time 298.78 (22.93% of Nonbo) | Short_ene time 282.53 (60.48% of Direc) | Other 184.64 (39.52% of Direc) | Direct Ewald time 467.17 (46.52% of Ewald) | Adjust Ewald time 3.48 ( 0.35% of Ewald) | Fill Bspline coeffs 65.27 (16.35% of Recip) | Fill charge grid 11.54 ( 2.89% of Recip) | Scalar sum 13.71 ( 3.44% of Recip) | Grad sum 19.33 ( 4.84% of Recip) | FFT back comm time 203.53 (75.52% of FFT t) | Other 65.98 (24.48% of FFT t) | FFT time 269.51 (67.52% of Recip) | Other 19.78 ( 4.96% of Recip) | Recip Ewald time 399.14 (39.75% of Ewald) | Force Adjust 44.80 ( 4.46% of Ewald) | Virial junk 89.31 ( 8.89% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1004.14 (77.06% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1303.08 (76.19% of Force) | Bond/Angle/Dihedral 6.42 ( 0.38% of Force) | FRC Collect time 340.35 (19.90% of Force) | Other 60.45 ( 3.53% of Force) | Force time 1710.30 (64.50% of Runmd) | Shake time 20.10 ( 0.76% of Runmd) | Verlet update time 208.43 ( 7.86% of Runmd) | Ekcmr time 389.47 (14.69% of Runmd) | CRD distribute time 266.24 (10.04% of Runmd) | Other 57.10 ( 2.15% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 58 | Build the list 170.86 (56.82% of List ) | Other 129.83 (43.18% of List ) | List time 300.69 (23.06% of Nonbo) | Short_ene time 299.81 (62.48% of Direc) | Other 180.07 (37.52% of Direc) | Direct Ewald time 479.87 (47.83% of Ewald) | Adjust Ewald time 3.43 ( 0.34% of Ewald) | Fill Bspline coeffs 65.79 (16.50% of Recip) | Fill charge grid 12.00 ( 3.01% of Recip) | Scalar sum 13.71 ( 3.44% of Recip) | Grad sum 19.45 ( 4.88% of Recip) | FFT back comm time 203.79 (76.01% of FFT t) | Other 64.31 (23.99% of FFT t) | FFT time 268.11 (67.26% of Recip) | Other 19.58 ( 4.91% of Recip) | Recip Ewald time 398.64 (39.74% of Ewald) | Force Adjust 31.77 ( 3.17% of Ewald) | Virial junk 89.26 ( 8.90% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1003.25 (76.93% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1304.10 (76.19% of Force) | Bond/Angle/Dihedral 6.64 ( 0.39% of Force) | FRC Collect time 340.44 (19.89% of Force) | Other 60.51 ( 3.54% of Force) | Force time 1711.69 (64.55% of Runmd) | Shake time 20.11 ( 0.76% of Runmd) | Verlet update time 215.92 ( 8.14% of Runmd) | Ekcmr time 378.75 (14.28% of Runmd) | CRD distribute time 264.42 ( 9.97% of Runmd) | Other 60.76 ( 2.29% of Runmd) | Runmd Time 2651.64 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 59 | Build the list 171.01 (57.70% of List ) | Other 125.34 (42.30% of List ) | List time 296.35 (22.78% of Nonbo) | Short_ene time 282.71 (61.21% of Direc) | Other 179.16 (38.79% of Direc) | Direct Ewald time 461.87 (45.97% of Ewald) | Adjust Ewald time 3.50 ( 0.35% of Ewald) | Fill Bspline coeffs 64.79 (16.21% of Recip) | Fill charge grid 11.70 ( 2.93% of Recip) | Scalar sum 13.72 ( 3.43% of Recip) | Grad sum 19.27 ( 4.82% of Recip) | FFT back comm time 204.05 (75.39% of FFT t) | Other 66.61 (24.61% of FFT t) | FFT time 270.66 (67.70% of Recip) | Other 19.63 ( 4.91% of Recip) | Recip Ewald time 399.77 (39.79% of Ewald) | Force Adjust 51.14 ( 5.09% of Ewald) | Virial junk 88.13 ( 8.77% of Ewald) | Start sycnronization 0.07 ( 0.01% of Ewald) | Other 0.13 ( 0.01% of Ewald) | Ewald time 1004.63 (77.21% of Nonbo) | Other 0.11 ( 0.01% of Nonbo) | Nonbond force 1301.12 (76.07% of Force) | Bond/Angle/Dihedral 6.50 ( 0.38% of Force) | FRC Collect time 340.36 (19.90% of Force) | Other 62.42 ( 3.65% of Force) | Force time 1710.39 (64.50% of Runmd) | Shake time 19.96 ( 0.75% of Runmd) | Verlet update time 237.20 ( 8.95% of Runmd) | Ekcmr time 258.43 ( 9.75% of Runmd) | CRD distribute time 378.07 (14.26% of Runmd) | Other 47.60 ( 1.80% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 60 | Build the list 171.81 (57.65% of List ) | Other 126.18 (42.35% of List ) | List time 297.99 (22.84% of Nonbo) | Short_ene time 279.75 (60.50% of Direc) | Other 182.64 (39.50% of Direc) | Direct Ewald time 462.39 (45.93% of Ewald) | Adjust Ewald time 3.50 ( 0.35% of Ewald) | Fill Bspline coeffs 64.26 (15.98% of Recip) | Fill charge grid 12.80 ( 3.18% of Recip) | Scalar sum 13.72 ( 3.41% of Recip) | Grad sum 19.42 ( 4.83% of Recip) | FFT back comm time 205.01 (75.07% of FFT t) | Other 68.07 (24.93% of FFT t) | FFT time 273.08 (67.89% of Recip) | Other 18.94 ( 4.71% of Recip) | Recip Ewald time 402.22 (39.95% of Ewald) | Force Adjust 49.43 ( 4.91% of Ewald) | Virial junk 88.98 ( 8.84% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1006.79 (77.15% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1304.93 (76.27% of Force) | Bond/Angle/Dihedral 6.96 ( 0.41% of Force) | FRC Collect time 339.80 (19.86% of Force) | Other 59.33 ( 3.47% of Force) | Force time 1711.02 (64.53% of Runmd) | Shake time 20.40 ( 0.77% of Runmd) | Verlet update time 206.93 ( 7.80% of Runmd) | Ekcmr time 381.43 (14.38% of Runmd) | CRD distribute time 275.96 (10.41% of Runmd) | Other 55.90 ( 2.11% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 61 | Build the list 170.49 (57.75% of List ) | Other 124.73 (42.25% of List ) | List time 295.22 (22.70% of Nonbo) | Short_ene time 301.73 (63.26% of Direc) | Other 175.22 (36.74% of Direc) | Direct Ewald time 476.94 (47.45% of Ewald) | Adjust Ewald time 3.43 ( 0.34% of Ewald) | Fill Bspline coeffs 66.72 (16.67% of Recip) | Fill charge grid 11.81 ( 2.95% of Recip) | Scalar sum 13.66 ( 3.41% of Recip) | Grad sum 19.40 ( 4.85% of Recip) | FFT back comm time 205.31 (76.10% of FFT t) | Other 64.47 (23.90% of FFT t) | FFT time 269.78 (67.40% of Recip) | Other 18.91 ( 4.73% of Recip) | Recip Ewald time 400.29 (39.82% of Ewald) | Force Adjust 35.17 ( 3.50% of Ewald) | Virial junk 89.03 ( 8.86% of Ewald) | Start sycnronization 0.09 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.12 (77.29% of Nonbo) | Other 0.14 ( 0.01% of Nonbo) | Nonbond force 1300.51 (76.06% of Force) | Bond/Angle/Dihedral 7.43 ( 0.43% of Force) | FRC Collect time 339.73 (19.87% of Force) | Other 62.22 ( 3.64% of Force) | Force time 1709.88 (64.48% of Runmd) | Shake time 20.38 ( 0.77% of Runmd) | Verlet update time 245.67 ( 9.26% of Runmd) | Ekcmr time 283.59 (10.69% of Runmd) | CRD distribute time 338.11 (12.75% of Runmd) | Other 54.02 ( 2.04% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 62 | Build the list 171.73 (57.41% of List ) | Other 127.40 (42.59% of List ) | List time 299.14 (22.92% of Nonbo) | Short_ene time 297.57 (62.15% of Direc) | Other 181.23 (37.85% of Direc) | Direct Ewald time 478.80 (47.60% of Ewald) | Adjust Ewald time 3.43 ( 0.34% of Ewald) | Fill Bspline coeffs 67.45 (16.81% of Recip) | Fill charge grid 11.83 ( 2.95% of Recip) | Scalar sum 13.65 ( 3.40% of Recip) | Grad sum 19.46 ( 4.85% of Recip) | FFT back comm time 205.46 (76.11% of FFT t) | Other 64.50 (23.89% of FFT t) | FFT time 269.96 (67.29% of Recip) | Other 18.82 ( 4.69% of Recip) | Recip Ewald time 401.17 (39.88% of Ewald) | Force Adjust 33.24 ( 3.30% of Ewald) | Virial junk 88.97 ( 8.84% of Ewald) | Start sycnronization 0.10 ( 0.01% of Ewald) | Other 0.15 ( 0.01% of Ewald) | Ewald time 1005.89 (77.07% of Nonbo) | Other 0.15 ( 0.01% of Nonbo) | Nonbond force 1305.21 (76.27% of Force) | Bond/Angle/Dihedral 7.53 ( 0.44% of Force) | FRC Collect time 339.92 (19.86% of Force) | Other 58.66 ( 3.43% of Force) | Force time 1711.31 (64.54% of Runmd) | Shake time 20.23 ( 0.76% of Runmd) | Verlet update time 240.02 ( 9.05% of Runmd) | Ekcmr time 282.17 (10.64% of Runmd) | CRD distribute time 338.36 (12.76% of Runmd) | Other 59.55 ( 2.25% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.61 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 63 | Build the list 171.48 (57.73% of List ) | Other 125.57 (42.27% of List ) | List time 297.05 (22.81% of Nonbo) | Short_ene time 243.46 (57.93% of Direc) | Other 176.78 (42.07% of Direc) | Direct Ewald time 420.24 (41.81% of Ewald) | Adjust Ewald time 3.53 ( 0.35% of Ewald) | Fill Bspline coeffs 66.79 (16.69% of Recip) | Fill charge grid 11.45 ( 2.86% of Recip) | Scalar sum 13.65 ( 3.41% of Recip) | Grad sum 19.29 ( 4.82% of Recip) | FFT back comm time 205.71 (76.15% of FFT t) | Other 64.44 (23.85% of FFT t) | FFT time 270.15 (67.51% of Recip) | Other 18.82 ( 4.70% of Recip) | Recip Ewald time 400.15 (39.81% of Ewald) | Force Adjust 91.81 ( 9.13% of Ewald) | Virial junk 89.13 ( 8.87% of Ewald) | Start sycnronization 0.08 ( 0.01% of Ewald) | Other 0.14 ( 0.01% of Ewald) | Ewald time 1005.12 (77.18% of Nonbo) | Other 0.13 ( 0.01% of Nonbo) | Nonbond force 1302.32 (76.15% of Force) | Bond/Angle/Dihedral 7.75 ( 0.45% of Force) | FRC Collect time 339.84 (19.87% of Force) | Other 60.19 ( 3.52% of Force) | Force time 1710.10 (64.49% of Runmd) | Shake time 20.54 ( 0.77% of Runmd) | Verlet update time 231.31 ( 8.72% of Runmd) | Ekcmr time 263.90 ( 9.95% of Runmd) | CRD distribute time 381.03 (14.37% of Runmd) | Other 44.77 ( 1.69% of Runmd) | Runmd Time 2651.65 (100.0% of Total) | Other 0.95 ( 0.04% of Total) | Total time 2652.60 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 171.09 ( 169.12 173.23 0.76) | Other 127.75 ( 124.04 131.78 1.91) | List time 298.84 ( 295.22 302.23 1.60) | Short_ene time 279.77 ( 243.46 308.40 13.63) | Other 182.45 ( 175.22 189.34 2.91) | Direct Ewald time 462.21 ( 420.24 491.35 12.54) | Adjust Ewald time 3.75 ( 3.41 4.23 0.28) | Fill Bspline coeffs 68.73 ( 63.15 74.87 3.88) | Fill charge grid 15.26 ( 10.93 20.84 3.67) | Scalar sum 19.23 ( 13.64 27.36 6.68) | Grad sum 23.67 ( 19.27 30.09 4.66) | FFT back comm time 204.24 ( 201.66 207.13 1.42) | Other 55.86 ( 37.51 69.55 12.60) | FFT time 260.10 ( 242.88 273.65 11.80) | Other 12.63 ( 2.89 19.99 7.13) | Recip Ewald time 399.63 ( 396.28 403.13 1.59) | Force Adjust 49.75 ( 18.96 91.81 12.89) | Virial junk 88.86 ( 87.60 90.57 0.67) | Start sycnronization 0.08 ( 0.07 0.11 0.01) | Other 0.14 ( 0.13 0.16 0.01) | Ewald time 1004.47 ( 1001.18 1008.12 1.55) | Other 0.14 ( 0.10 0.16 0.01) | Nonbond force 1303.47 ( 1299.85 1306.71 1.60) | Bond/Angle/Dihedral 6.18 ( 5.76 7.75 0.37) | FRC Collect time 367.75 ( 338.96 437.84 30.12) | Other 61.48 ( 58.66 64.60 1.29) | Force time 1738.87 ( 1709.51 1809.62 30.21) | Shake time 19.83 ( 13.33 21.83 1.47) | Verlet update time 202.78 ( 134.15 283.17 32.45) | Ekcmr time 307.10 ( 159.93 464.79 66.89) | CRD distribute time 325.54 ( 226.86 389.46 47.38) | Other 57.58 ( 33.44 78.96 9.72) | Runmd Time 2651.70 ( 2651.64 2654.71 0.38) | Other 0.95 ( 0.89 0.96 0.01) | Total time 2652.65 ( 2652.59 2655.65 0.38)