|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 3419.27 (86.10% of List ) | Other 551.96 (13.90% of List ) | List time 3971.23 (22.86% of Nonbo) | Short_ene time 6255.09 (84.30% of Direc) | Other 1164.92 (15.70% of Direc) | Direct Ewald time 7420.02 (55.38% of Ewald) | Adjust Ewald time 75.06 ( 0.56% of Ewald) | Self Ewald time 2.02 ( 0.02% of Ewald) | Fill Bspline coeffs 454.99 ( 9.94% of Recip) | Fill charge grid 279.02 ( 6.10% of Recip) | Scalar sum 537.73 (11.75% of Recip) | Grad sum 405.91 ( 8.87% of Recip) | FFT back comm time 1530.99 (55.81% of FFT t) | Other 1212.44 (44.19% of FFT t) | FFT time 2743.43 (59.94% of Recip) | Other 155.96 ( 3.41% of Recip) | Recip Ewald time 4577.04 (34.16% of Ewald) | Force Adjust 798.14 ( 5.96% of Ewald) | Virial junk 521.71 ( 3.89% of Ewald) | Other 3.81 ( 0.03% of Ewald) | Ewald time 13398.41 (77.12% of Nonbo) | Other 2.29 ( 0.01% of Nonbo) | Nonbond force 17372.41 (84.72% of Force) | Bond/Angle/Dihedral 111.02 ( 0.54% of Force) | FRC Collect time 2637.68 (12.86% of Force) | Other 384.31 ( 1.87% of Force) | Force time 20505.42 (77.38% of Runmd) | Shake time 473.54 ( 1.79% of Runmd) | Verlet update time 1688.86 ( 6.37% of Runmd) | Ekcmr time 1098.13 ( 4.14% of Runmd) | CRD distribute time 2266.07 ( 8.55% of Runmd) | Other 468.43 ( 1.77% of Runmd) | Runmd Time 26500.46 (100.0% of Total) | Total time 26501.64 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 3446.31 (86.75% of List ) | Other 526.28 (13.25% of List ) | List time 3972.59 (22.82% of Nonbo) | Short_ene time 5999.89 (84.05% of Direc) | Other 1138.53 (15.95% of Direc) | Direct Ewald time 7138.42 (53.15% of Ewald) | Adjust Ewald time 76.47 ( 0.57% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 443.46 ( 9.61% of Recip) | Fill charge grid 266.34 ( 5.77% of Recip) | Scalar sum 540.47 (11.71% of Recip) | Grad sum 385.89 ( 8.36% of Recip) | FFT back comm time 1523.52 (54.32% of FFT t) | Other 1281.38 (45.68% of FFT t) | FFT time 2804.90 (60.77% of Recip) | Other 174.88 ( 3.79% of Recip) | Recip Ewald time 4615.95 (34.37% of Ewald) | Force Adjust 1068.39 ( 7.95% of Ewald) | Virial junk 526.51 ( 3.92% of Ewald) | Other 3.88 ( 0.03% of Ewald) | Ewald time 13431.15 (77.16% of Nonbo) | Other 2.21 ( 0.01% of Nonbo) | Nonbond force 17406.41 (85.15% of Force) | Bond/Angle/Dihedral 111.26 ( 0.54% of Force) | FRC Collect time 2562.18 (12.53% of Force) | Other 362.28 ( 1.77% of Force) | Force time 20442.13 (77.14% of Runmd) | Shake time 127.83 ( 0.48% of Runmd) | Verlet update time 1464.53 ( 5.53% of Runmd) | Ekcmr time 1677.08 ( 6.33% of Runmd) | CRD distribute time 2334.55 ( 8.81% of Runmd) | Other 453.20 ( 1.71% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 3454.01 (87.14% of List ) | Other 509.77 (12.86% of List ) | List time 3963.78 (22.77% of Nonbo) | Short_ene time 5790.72 (84.22% of Direc) | Other 1085.19 (15.78% of Direc) | Direct Ewald time 6875.91 (51.17% of Ewald) | Adjust Ewald time 74.55 ( 0.55% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 434.04 ( 9.38% of Recip) | Fill charge grid 263.23 ( 5.69% of Recip) | Scalar sum 540.24 (11.68% of Recip) | Grad sum 378.61 ( 8.18% of Recip) | FFT back comm time 1525.89 (54.00% of FFT t) | Other 1299.68 (46.00% of FFT t) | FFT time 2825.57 (61.07% of Recip) | Other 184.94 ( 4.00% of Recip) | Recip Ewald time 4626.62 (34.43% of Ewald) | Force Adjust 1328.20 ( 9.88% of Ewald) | Virial junk 527.11 ( 3.92% of Ewald) | Other 3.80 ( 0.03% of Ewald) | Ewald time 13437.73 (77.21% of Nonbo) | Other 2.17 ( 0.01% of Nonbo) | Nonbond force 17404.15 (85.55% of Force) | Bond/Angle/Dihedral 111.11 ( 0.55% of Force) | FRC Collect time 2481.06 (12.20% of Force) | Other 348.20 ( 1.71% of Force) | Force time 20344.51 (76.77% of Runmd) | Shake time 132.42 ( 0.50% of Runmd) | Verlet update time 1503.47 ( 5.67% of Runmd) | Ekcmr time 1788.61 ( 6.75% of Runmd) | CRD distribute time 2305.54 ( 8.70% of Runmd) | Other 424.77 ( 1.60% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 3436.14 (86.46% of List ) | Other 538.28 (13.54% of List ) | List time 3974.42 (22.85% of Nonbo) | Short_ene time 6266.11 (84.26% of Direc) | Other 1170.96 (15.74% of Direc) | Direct Ewald time 7437.07 (55.45% of Ewald) | Adjust Ewald time 76.67 ( 0.57% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 466.92 (10.14% of Recip) | Fill charge grid 271.70 ( 5.90% of Recip) | Scalar sum 540.68 (11.74% of Recip) | Grad sum 397.40 ( 8.63% of Recip) | FFT back comm time 1535.81 (55.51% of FFT t) | Other 1230.70 (44.49% of FFT t) | FFT time 2766.51 (60.09% of Recip) | Other 160.83 ( 3.49% of Recip) | Recip Ewald time 4604.04 (34.33% of Ewald) | Force Adjust 774.19 ( 5.77% of Ewald) | Virial junk 515.23 ( 3.84% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 3.93 ( 0.03% of Ewald) | Ewald time 13412.70 (77.13% of Nonbo) | Other 2.26 ( 0.01% of Nonbo) | Nonbond force 17389.85 (85.44% of Force) | Bond/Angle/Dihedral 112.57 ( 0.55% of Force) | FRC Collect time 2472.05 (12.15% of Force) | Other 378.42 ( 1.86% of Force) | Force time 20352.89 (76.81% of Runmd) | Shake time 137.11 ( 0.52% of Runmd) | Verlet update time 1561.90 ( 5.89% of Runmd) | Ekcmr time 1524.14 ( 5.75% of Runmd) | CRD distribute time 2451.94 ( 9.25% of Runmd) | Other 471.35 ( 1.78% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 3434.57 (86.59% of List ) | Other 532.00 (13.41% of List ) | List time 3966.57 (22.81% of Nonbo) | Short_ene time 6047.74 (83.75% of Direc) | Other 1173.29 (16.25% of Direc) | Direct Ewald time 7221.03 (53.81% of Ewald) | Adjust Ewald time 76.09 ( 0.57% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 462.47 (10.06% of Recip) | Fill charge grid 271.67 ( 5.91% of Recip) | Scalar sum 539.96 (11.74% of Recip) | Grad sum 400.09 ( 8.70% of Recip) | FFT back comm time 1544.46 (55.77% of FFT t) | Other 1225.03 (44.23% of FFT t) | FFT time 2769.49 (60.23% of Recip) | Other 154.53 ( 3.36% of Recip) | Recip Ewald time 4598.21 (34.27% of Ewald) | Force Adjust 995.30 ( 7.42% of Ewald) | Virial junk 522.64 ( 3.89% of Ewald) | Start sycnronization 0.68 ( 0.01% of Ewald) | Other 3.82 ( 0.03% of Ewald) | Ewald time 13418.60 (77.17% of Nonbo) | Other 2.24 ( 0.01% of Nonbo) | Nonbond force 17387.85 (85.83% of Force) | Bond/Angle/Dihedral 112.99 ( 0.56% of Force) | FRC Collect time 2402.31 (11.86% of Force) | Other 356.48 ( 1.76% of Force) | Force time 20259.63 (76.45% of Runmd) | Shake time 148.75 ( 0.56% of Runmd) | Verlet update time 1610.75 ( 6.08% of Runmd) | Ekcmr time 1823.20 ( 6.88% of Runmd) | CRD distribute time 2192.64 ( 8.27% of Runmd) | Other 464.35 ( 1.75% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 3434.09 (86.45% of List ) | Other 538.29 (13.55% of List ) | List time 3972.37 (22.84% of Nonbo) | Short_ene time 5989.90 (83.84% of Direc) | Other 1154.66 (16.16% of Direc) | Direct Ewald time 7144.57 (53.24% of Ewald) | Adjust Ewald time 75.75 ( 0.56% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 463.67 (10.07% of Recip) | Fill charge grid 274.54 ( 5.96% of Recip) | Scalar sum 540.11 (11.73% of Recip) | Grad sum 396.45 ( 8.61% of Recip) | FFT back comm time 1537.34 (55.47% of FFT t) | Other 1234.16 (44.53% of FFT t) | FFT time 2771.50 (60.22% of Recip) | Other 156.33 ( 3.40% of Recip) | Recip Ewald time 4602.59 (34.30% of Ewald) | Force Adjust 1075.35 ( 8.01% of Ewald) | Virial junk 515.03 ( 3.84% of Ewald) | Other 3.83 ( 0.03% of Ewald) | Ewald time 13418.60 (77.15% of Nonbo) | Other 2.23 ( 0.01% of Nonbo) | Nonbond force 17393.65 (85.81% of Force) | Bond/Angle/Dihedral 111.97 ( 0.55% of Force) | FRC Collect time 2393.40 (11.81% of Force) | Other 370.71 ( 1.83% of Force) | Force time 20269.73 (76.49% of Runmd) | Shake time 149.58 ( 0.56% of Runmd) | Verlet update time 1643.50 ( 6.20% of Runmd) | Ekcmr time 1710.36 ( 6.45% of Runmd) | CRD distribute time 2264.21 ( 8.54% of Runmd) | Other 461.96 ( 1.74% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 3446.10 (86.91% of List ) | Other 519.00 (13.09% of List ) | List time 3965.10 (22.79% of Nonbo) | Short_ene time 6151.58 (84.42% of Direc) | Other 1134.96 (15.58% of Direc) | Direct Ewald time 7286.54 (54.26% of Ewald) | Adjust Ewald time 74.39 ( 0.55% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 451.73 ( 9.78% of Recip) | Fill charge grid 271.64 ( 5.88% of Recip) | Scalar sum 539.95 (11.69% of Recip) | Grad sum 392.78 ( 8.51% of Recip) | FFT back comm time 1541.69 (55.13% of FFT t) | Other 1254.94 (44.87% of FFT t) | FFT time 2796.63 (60.57% of Recip) | Other 164.30 ( 3.56% of Recip) | Recip Ewald time 4617.03 (34.38% of Ewald) | Force Adjust 924.32 ( 6.88% of Ewald) | Virial junk 521.04 ( 3.88% of Ewald) | Other 3.81 ( 0.03% of Ewald) | Ewald time 13428.64 (77.19% of Nonbo) | Other 2.28 ( 0.01% of Nonbo) | Nonbond force 17396.48 (85.86% of Force) | Bond/Angle/Dihedral 112.09 ( 0.55% of Force) | FRC Collect time 2402.95 (11.86% of Force) | Other 349.72 ( 1.73% of Force) | Force time 20261.25 (76.46% of Runmd) | Shake time 147.58 ( 0.56% of Runmd) | Verlet update time 1608.23 ( 6.07% of Runmd) | Ekcmr time 1794.10 ( 6.77% of Runmd) | CRD distribute time 2236.04 ( 8.44% of Runmd) | Other 452.14 ( 1.71% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 3453.37 (87.00% of List ) | Other 516.17 (13.00% of List ) | List time 3969.54 (22.80% of Nonbo) | Short_ene time 5812.53 (83.63% of Direc) | Other 1138.04 (16.37% of Direc) | Direct Ewald time 6950.58 (51.72% of Ewald) | Adjust Ewald time 74.10 ( 0.55% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 444.01 ( 9.58% of Recip) | Fill charge grid 270.75 ( 5.84% of Recip) | Scalar sum 540.19 (11.65% of Recip) | Grad sum 390.65 ( 8.43% of Recip) | FFT back comm time 1545.06 (54.70% of FFT t) | Other 1279.31 (45.30% of FFT t) | FFT time 2824.37 (60.92% of Recip) | Other 165.95 ( 3.58% of Recip) | Recip Ewald time 4635.92 (34.49% of Ewald) | Force Adjust 1255.31 ( 9.34% of Ewald) | Virial junk 518.32 ( 3.86% of Ewald) | Other 3.86 ( 0.03% of Ewald) | Ewald time 13439.62 (77.19% of Nonbo) | Other 2.25 ( 0.01% of Nonbo) | Nonbond force 17411.87 (85.89% of Force) | Bond/Angle/Dihedral 112.57 ( 0.56% of Force) | FRC Collect time 2398.56 (11.83% of Force) | Other 348.24 ( 1.72% of Force) | Force time 20271.24 (76.50% of Runmd) | Shake time 147.84 ( 0.56% of Runmd) | Verlet update time 1634.52 ( 6.17% of Runmd) | Ekcmr time 1630.16 ( 6.15% of Runmd) | CRD distribute time 2373.04 ( 8.96% of Runmd) | Other 442.54 ( 1.67% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 3252.95 (77.00% of List ) | Other 971.55 (23.00% of List ) | List time 4224.50 (24.44% of Nonbo) | Short_ene time 5976.70 (75.30% of Direc) | Other 1960.10 (24.70% of Direc) | Direct Ewald time 7936.80 (60.80% of Ewald) | Adjust Ewald time 73.61 ( 0.56% of Ewald) | Self Ewald time 0.89 ( 0.01% of Ewald) | Fill Bspline coeffs 587.10 (13.82% of Recip) | Fill charge grid 306.66 ( 7.22% of Recip) | Scalar sum 539.55 (12.70% of Recip) | Grad sum 482.87 (11.37% of Recip) | FFT back comm time 1539.84 (68.27% of FFT t) | Other 715.53 (31.73% of FFT t) | FFT time 2255.37 (53.10% of Recip) | Other 75.80 ( 1.78% of Recip) | Recip Ewald time 4247.36 (32.53% of Ewald) | Force Adjust 272.43 ( 2.09% of Ewald) | Virial junk 519.07 ( 3.98% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 4.01 ( 0.03% of Ewald) | Ewald time 13054.88 (75.54% of Nonbo) | Other 2.66 ( 0.02% of Nonbo) | Nonbond force 17282.57 (85.88% of Force) | Bond/Angle/Dihedral 113.04 ( 0.56% of Force) | FRC Collect time 2244.37 (11.15% of Force) | Other 484.17 ( 2.41% of Force) | Force time 20124.16 (75.94% of Runmd) | Shake time 216.84 ( 0.82% of Runmd) | Verlet update time 1985.92 ( 7.49% of Runmd) | Ekcmr time 1297.25 ( 4.90% of Runmd) | CRD distribute time 2267.14 ( 8.56% of Runmd) | Other 608.01 ( 2.29% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 3254.92 (77.17% of List ) | Other 962.67 (22.83% of List ) | List time 4217.59 (24.40% of Nonbo) | Short_ene time 5978.85 (75.54% of Direc) | Other 1936.31 (24.46% of Direc) | Direct Ewald time 7915.16 (60.58% of Ewald) | Adjust Ewald time 75.91 ( 0.58% of Ewald) | Self Ewald time 0.93 ( 0.01% of Ewald) | Fill Bspline coeffs 626.42 (14.70% of Recip) | Fill charge grid 311.20 ( 7.30% of Recip) | Scalar sum 539.97 (12.67% of Recip) | Grad sum 506.05 (11.87% of Recip) | FFT back comm time 1532.55 (68.68% of FFT t) | Other 698.85 (31.32% of FFT t) | FFT time 2231.40 (52.35% of Recip) | Other 47.61 ( 1.12% of Recip) | Recip Ewald time 4262.64 (32.62% of Ewald) | Force Adjust 290.82 ( 2.23% of Ewald) | Virial junk 516.12 ( 3.95% of Ewald) | Start sycnronization 0.77 ( 0.01% of Ewald) | Other 4.15 ( 0.03% of Ewald) | Ewald time 13066.50 (75.59% of Nonbo) | Other 2.38 ( 0.01% of Nonbo) | Nonbond force 17287.00 (85.89% of Force) | Bond/Angle/Dihedral 114.46 ( 0.57% of Force) | FRC Collect time 2238.65 (11.12% of Force) | Other 486.39 ( 2.42% of Force) | Force time 20126.50 (75.95% of Runmd) | Shake time 217.01 ( 0.82% of Runmd) | Verlet update time 2038.68 ( 7.69% of Runmd) | Ekcmr time 1215.31 ( 4.59% of Runmd) | CRD distribute time 2365.26 ( 8.93% of Runmd) | Other 536.57 ( 2.02% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 3263.31 (77.28% of List ) | Other 959.18 (22.72% of List ) | List time 4222.50 (24.43% of Nonbo) | Short_ene time 5742.66 (74.34% of Direc) | Other 1982.45 (25.66% of Direc) | Direct Ewald time 7725.11 (59.16% of Ewald) | Adjust Ewald time 74.18 ( 0.57% of Ewald) | Self Ewald time 1.00 ( 0.01% of Ewald) | Fill Bspline coeffs 595.75 (13.99% of Recip) | Fill charge grid 312.37 ( 7.34% of Recip) | Scalar sum 539.64 (12.67% of Recip) | Grad sum 485.00 (11.39% of Recip) | FFT back comm time 1540.38 (68.39% of FFT t) | Other 711.98 (31.61% of FFT t) | FFT time 2252.36 (52.90% of Recip) | Other 72.46 ( 1.70% of Recip) | Recip Ewald time 4257.57 (32.61% of Ewald) | Force Adjust 473.25 ( 3.62% of Ewald) | Virial junk 520.98 ( 3.99% of Ewald) | Start sycnronization 0.78 ( 0.01% of Ewald) | Other 4.27 ( 0.03% of Ewald) | Ewald time 13057.15 (75.55% of Nonbo) | Other 2.65 ( 0.02% of Nonbo) | Nonbond force 17282.86 (85.87% of Force) | Bond/Angle/Dihedral 112.96 ( 0.56% of Force) | FRC Collect time 2241.18 (11.14% of Force) | Other 488.96 ( 2.43% of Force) | Force time 20125.97 (75.95% of Runmd) | Shake time 214.41 ( 0.81% of Runmd) | Verlet update time 1982.51 ( 7.48% of Runmd) | Ekcmr time 1273.01 ( 4.80% of Runmd) | CRD distribute time 2296.45 ( 8.67% of Runmd) | Other 606.98 ( 2.29% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 3249.09 (76.97% of List ) | Other 971.92 (23.03% of List ) | List time 4221.01 (24.43% of Nonbo) | Short_ene time 5961.26 (75.70% of Direc) | Other 1913.47 (24.30% of Direc) | Direct Ewald time 7874.73 (60.31% of Ewald) | Adjust Ewald time 76.07 ( 0.58% of Ewald) | Self Ewald time 0.98 ( 0.01% of Ewald) | Fill Bspline coeffs 631.13 (14.82% of Recip) | Fill charge grid 301.91 ( 7.09% of Recip) | Scalar sum 539.71 (12.67% of Recip) | Grad sum 499.79 (11.74% of Recip) | FFT back comm time 1549.47 (69.35% of FFT t) | Other 684.92 (30.65% of FFT t) | FFT time 2234.38 (52.47% of Recip) | Other 51.15 ( 1.20% of Recip) | Recip Ewald time 4258.08 (32.61% of Ewald) | Force Adjust 329.30 ( 2.52% of Ewald) | Virial junk 512.46 ( 3.92% of Ewald) | Start sycnronization 0.75 ( 0.01% of Ewald) | Other 4.18 ( 0.03% of Ewald) | Ewald time 13056.55 (75.56% of Nonbo) | Other 2.49 ( 0.01% of Nonbo) | Nonbond force 17280.58 (85.86% of Force) | Bond/Angle/Dihedral 114.26 ( 0.57% of Force) | FRC Collect time 2235.92 (11.11% of Force) | Other 496.37 ( 2.47% of Force) | Force time 20127.14 (75.95% of Runmd) | Shake time 212.89 ( 0.80% of Runmd) | Verlet update time 1938.34 ( 7.31% of Runmd) | Ekcmr time 1109.54 ( 4.19% of Runmd) | CRD distribute time 2517.24 ( 9.50% of Runmd) | Other 594.19 ( 2.24% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 3454.16 (87.44% of List ) | Other 496.38 (12.56% of List ) | List time 3950.54 (22.70% of Nonbo) | Short_ene time 5751.59 (83.46% of Direc) | Other 1140.01 (16.54% of Direc) | Direct Ewald time 6891.60 (51.25% of Ewald) | Adjust Ewald time 75.00 ( 0.56% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 449.19 ( 9.70% of Recip) | Fill charge grid 281.59 ( 6.08% of Recip) | Scalar sum 540.29 (11.66% of Recip) | Grad sum 396.83 ( 8.57% of Recip) | FFT back comm time 1552.64 (55.31% of FFT t) | Other 1254.41 (44.69% of FFT t) | FFT time 2807.05 (60.60% of Recip) | Other 156.86 ( 3.39% of Recip) | Recip Ewald time 4631.80 (34.44% of Ewald) | Force Adjust 1320.87 ( 9.82% of Ewald) | Virial junk 522.97 ( 3.89% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 13447.61 (77.28% of Nonbo) | Other 2.30 ( 0.01% of Nonbo) | Nonbond force 17400.90 (86.52% of Force) | Bond/Angle/Dihedral 113.27 ( 0.56% of Force) | FRC Collect time 2255.17 (11.21% of Force) | Other 342.18 ( 1.70% of Force) | Force time 20111.51 (75.89% of Runmd) | Shake time 146.33 ( 0.55% of Runmd) | Verlet update time 1757.04 ( 6.63% of Runmd) | Ekcmr time 1862.80 ( 7.03% of Runmd) | CRD distribute time 2192.99 ( 8.28% of Runmd) | Other 428.66 ( 1.62% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 3462.75 (87.48% of List ) | Other 495.38 (12.52% of List ) | List time 3958.14 (22.72% of Nonbo) | Short_ene time 5691.05 (83.59% of Direc) | Other 1117.62 (16.41% of Direc) | Direct Ewald time 6808.67 (50.59% of Ewald) | Adjust Ewald time 74.73 ( 0.56% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 446.24 ( 9.60% of Recip) | Fill charge grid 266.52 ( 5.74% of Recip) | Scalar sum 539.73 (11.61% of Recip) | Grad sum 392.44 ( 8.45% of Recip) | FFT back comm time 1544.00 (54.32% of FFT t) | Other 1298.54 (45.68% of FFT t) | FFT time 2842.54 (61.17% of Recip) | Other 159.49 ( 3.43% of Recip) | Recip Ewald time 4646.97 (34.53% of Ewald) | Force Adjust 1401.95 (10.42% of Ewald) | Virial junk 520.98 ( 3.87% of Ewald) | Other 3.80 ( 0.03% of Ewald) | Ewald time 13458.59 (77.26% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 17419.46 (86.57% of Force) | Bond/Angle/Dihedral 113.16 ( 0.56% of Force) | FRC Collect time 2246.80 (11.17% of Force) | Other 342.05 ( 1.70% of Force) | Force time 20121.48 (75.93% of Runmd) | Shake time 145.94 ( 0.55% of Runmd) | Verlet update time 1765.24 ( 6.66% of Runmd) | Ekcmr time 1761.65 ( 6.65% of Runmd) | CRD distribute time 2284.00 ( 8.62% of Runmd) | Other 421.02 ( 1.59% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 3464.55 (87.80% of List ) | Other 481.44 (12.20% of List ) | List time 3945.99 (22.66% of Nonbo) | Short_ene time 5682.08 (83.94% of Direc) | Other 1087.04 (16.06% of Direc) | Direct Ewald time 6769.12 (50.28% of Ewald) | Adjust Ewald time 73.64 ( 0.55% of Ewald) | Self Ewald time 0.84 ( 0.01% of Ewald) | Fill Bspline coeffs 446.51 ( 9.59% of Recip) | Fill charge grid 267.72 ( 5.75% of Recip) | Scalar sum 540.08 (11.60% of Recip) | Grad sum 390.32 ( 8.39% of Recip) | FFT back comm time 1545.06 (54.31% of FFT t) | Other 1299.90 (45.69% of FFT t) | FFT time 2844.96 (61.13% of Recip) | Other 164.60 ( 3.54% of Recip) | Recip Ewald time 4654.19 (34.57% of Ewald) | Force Adjust 1435.19 (10.66% of Ewald) | Virial junk 524.13 ( 3.89% of Ewald) | Other 3.83 ( 0.03% of Ewald) | Ewald time 13461.61 (77.32% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 17410.32 (86.57% of Force) | Bond/Angle/Dihedral 112.64 ( 0.56% of Force) | FRC Collect time 2254.22 (11.21% of Force) | Other 335.09 ( 1.67% of Force) | Force time 20112.28 (75.90% of Runmd) | Shake time 143.25 ( 0.54% of Runmd) | Verlet update time 1744.30 ( 6.58% of Runmd) | Ekcmr time 1826.07 ( 6.89% of Runmd) | CRD distribute time 2246.78 ( 8.48% of Runmd) | Other 426.65 ( 1.61% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 3453.65 (87.30% of List ) | Other 502.38 (12.70% of List ) | List time 3956.03 (22.73% of Nonbo) | Short_ene time 5727.82 (83.35% of Direc) | Other 1143.96 (16.65% of Direc) | Direct Ewald time 6871.77 (51.10% of Ewald) | Adjust Ewald time 68.78 ( 0.51% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 452.16 ( 9.73% of Recip) | Fill charge grid 276.53 ( 5.95% of Recip) | Scalar sum 538.23 (11.58% of Recip) | Grad sum 398.07 ( 8.57% of Recip) | FFT back comm time 1546.89 (54.78% of FFT t) | Other 1277.09 (45.22% of FFT t) | FFT time 2823.98 (60.77% of Recip) | Other 157.67 ( 3.39% of Recip) | Recip Ewald time 4646.65 (34.56% of Ewald) | Force Adjust 1340.04 ( 9.97% of Ewald) | Virial junk 513.90 ( 3.82% of Ewald) | Other 3.84 ( 0.03% of Ewald) | Ewald time 13446.51 (77.26% of Nonbo) | Other 2.30 ( 0.01% of Nonbo) | Nonbond force 17405.29 (86.50% of Force) | Bond/Angle/Dihedral 112.94 ( 0.56% of Force) | FRC Collect time 2247.98 (11.17% of Force) | Other 355.96 ( 1.77% of Force) | Force time 20122.18 (75.93% of Runmd) | Shake time 147.17 ( 0.56% of Runmd) | Verlet update time 1794.27 ( 6.77% of Runmd) | Ekcmr time 1597.59 ( 6.03% of Runmd) | CRD distribute time 2405.53 ( 9.08% of Runmd) | Other 432.58 ( 1.63% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 3487.18 (88.77% of List ) | Other 441.23 (11.23% of List ) | List time 3928.41 (22.53% of Nonbo) | Short_ene time 5671.46 (84.70% of Direc) | Other 1024.84 (15.30% of Direc) | Direct Ewald time 6696.30 (49.59% of Ewald) | Adjust Ewald time 65.27 ( 0.48% of Ewald) | Self Ewald time 0.83 ( 0.01% of Ewald) | Fill Bspline coeffs 416.00 ( 8.89% of Recip) | Fill charge grid 264.61 ( 5.65% of Recip) | Scalar sum 538.02 (11.49% of Recip) | Grad sum 369.00 ( 7.88% of Recip) | FFT back comm time 1546.08 (53.16% of FFT t) | Other 1362.25 (46.84% of FFT t) | FFT time 2908.34 (62.13% of Recip) | Other 185.03 ( 3.95% of Recip) | Recip Ewald time 4681.00 (34.66% of Ewald) | Force Adjust 1520.79 (11.26% of Ewald) | Virial junk 535.58 ( 3.97% of Ewald) | Other 3.73 ( 0.03% of Ewald) | Ewald time 13504.11 (77.45% of Nonbo) | Other 2.13 ( 0.01% of Nonbo) | Nonbond force 17435.08 (86.70% of Force) | Bond/Angle/Dihedral 109.38 ( 0.54% of Force) | FRC Collect time 2248.30 (11.18% of Force) | Other 316.13 ( 1.57% of Force) | Force time 20108.89 (75.88% of Runmd) | Shake time 141.49 ( 0.53% of Runmd) | Verlet update time 1718.31 ( 6.48% of Runmd) | Ekcmr time 1883.81 ( 7.11% of Runmd) | CRD distribute time 2260.17 ( 8.53% of Runmd) | Other 386.66 ( 1.46% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 3452.40 (87.41% of List ) | Other 497.25 (12.59% of List ) | List time 3949.64 (22.69% of Nonbo) | Short_ene time 5762.00 (83.24% of Direc) | Other 1159.90 (16.76% of Direc) | Direct Ewald time 6921.90 (51.45% of Ewald) | Adjust Ewald time 66.36 ( 0.49% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 459.86 ( 9.92% of Recip) | Fill charge grid 275.36 ( 5.94% of Recip) | Scalar sum 539.24 (11.63% of Recip) | Grad sum 413.08 ( 8.91% of Recip) | FFT back comm time 1539.75 (54.76% of FFT t) | Other 1272.12 (45.24% of FFT t) | FFT time 2811.88 (60.65% of Recip) | Other 137.03 ( 2.96% of Recip) | Recip Ewald time 4636.45 (34.46% of Ewald) | Force Adjust 1309.20 ( 9.73% of Ewald) | Virial junk 514.14 ( 3.82% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 3.95 ( 0.03% of Ewald) | Ewald time 13453.57 (77.29% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 17405.94 (86.50% of Force) | Bond/Angle/Dihedral 114.23 ( 0.57% of Force) | FRC Collect time 2245.57 (11.16% of Force) | Other 356.41 ( 1.77% of Force) | Force time 20122.15 (75.93% of Runmd) | Shake time 146.46 ( 0.55% of Runmd) | Verlet update time 1803.99 ( 6.81% of Runmd) | Ekcmr time 1643.47 ( 6.20% of Runmd) | CRD distribute time 2339.13 ( 8.83% of Runmd) | Other 444.12 ( 1.68% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 3495.68 (89.13% of List ) | Other 426.47 (10.87% of List ) | List time 3922.15 (22.49% of Nonbo) | Short_ene time 5646.15 (84.78% of Direc) | Other 1013.31 (15.22% of Direc) | Direct Ewald time 6659.45 (49.28% of Ewald) | Adjust Ewald time 65.55 ( 0.49% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 421.74 ( 8.97% of Recip) | Fill charge grid 259.39 ( 5.52% of Recip) | Scalar sum 538.32 (11.45% of Recip) | Grad sum 372.24 ( 7.92% of Recip) | FFT back comm time 1541.87 (52.69% of FFT t) | Other 1384.19 (47.31% of FFT t) | FFT time 2926.07 (62.24% of Recip) | Other 183.43 ( 3.90% of Recip) | Recip Ewald time 4701.18 (34.79% of Ewald) | Force Adjust 1550.84 (11.48% of Ewald) | Virial junk 531.60 ( 3.93% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 3.88 ( 0.03% of Ewald) | Ewald time 13514.08 (77.49% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 17438.97 (86.70% of Force) | Bond/Angle/Dihedral 111.34 ( 0.55% of Force) | FRC Collect time 2247.52 (11.17% of Force) | Other 315.39 ( 1.57% of Force) | Force time 20113.22 (75.90% of Runmd) | Shake time 135.73 ( 0.51% of Runmd) | Verlet update time 1726.60 ( 6.52% of Runmd) | Ekcmr time 1841.02 ( 6.95% of Runmd) | CRD distribute time 2301.97 ( 8.69% of Runmd) | Other 380.79 ( 1.44% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 3451.34 (87.48% of List ) | Other 494.14 (12.52% of List ) | List time 3945.49 (22.67% of Nonbo) | Short_ene time 5765.36 (83.37% of Direc) | Other 1150.36 (16.63% of Direc) | Direct Ewald time 6915.72 (51.39% of Ewald) | Adjust Ewald time 66.33 ( 0.49% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 446.42 ( 9.61% of Recip) | Fill charge grid 270.14 ( 5.81% of Recip) | Scalar sum 537.72 (11.57% of Recip) | Grad sum 398.96 ( 8.59% of Recip) | FFT back comm time 1553.00 (54.63% of FFT t) | Other 1289.73 (45.37% of FFT t) | FFT time 2842.73 (61.18% of Recip) | Other 150.56 ( 3.24% of Recip) | Recip Ewald time 4646.53 (34.53% of Ewald) | Force Adjust 1310.07 ( 9.74% of Ewald) | Virial junk 512.75 ( 3.81% of Ewald) | Other 3.75 ( 0.03% of Ewald) | Ewald time 13456.64 (77.32% of Nonbo) | Other 2.25 ( 0.01% of Nonbo) | Nonbond force 17404.84 (86.50% of Force) | Bond/Angle/Dihedral 113.07 ( 0.56% of Force) | FRC Collect time 2238.71 (11.13% of Force) | Other 364.82 ( 1.81% of Force) | Force time 20121.44 (75.93% of Runmd) | Shake time 144.87 ( 0.55% of Runmd) | Verlet update time 1809.52 ( 6.83% of Runmd) | Ekcmr time 1538.24 ( 5.80% of Runmd) | CRD distribute time 2451.29 ( 9.25% of Runmd) | Other 433.97 ( 1.64% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 3488.81 (88.69% of List ) | Other 445.10 (11.31% of List ) | List time 3933.91 (22.56% of Nonbo) | Short_ene time 5624.68 (84.87% of Direc) | Other 1002.56 (15.13% of Direc) | Direct Ewald time 6627.24 (49.07% of Ewald) | Adjust Ewald time 65.25 ( 0.48% of Ewald) | Self Ewald time 0.81 ( 0.01% of Ewald) | Fill Bspline coeffs 403.93 ( 8.63% of Recip) | Fill charge grid 261.98 ( 5.60% of Recip) | Scalar sum 537.35 (11.48% of Recip) | Grad sum 366.71 ( 7.83% of Recip) | FFT back comm time 1546.37 (52.92% of FFT t) | Other 1375.96 (47.08% of FFT t) | FFT time 2922.33 (62.42% of Recip) | Other 189.78 ( 4.05% of Recip) | Recip Ewald time 4682.09 (34.67% of Ewald) | Force Adjust 1588.21 (11.76% of Ewald) | Virial junk 536.54 ( 3.97% of Ewald) | Other 3.63 ( 0.03% of Ewald) | Ewald time 13504.32 (77.43% of Nonbo) | Other 2.14 ( 0.01% of Nonbo) | Nonbond force 17440.80 (86.73% of Force) | Bond/Angle/Dihedral 109.56 ( 0.54% of Force) | FRC Collect time 2256.03 (11.22% of Force) | Other 303.81 ( 1.51% of Force) | Force time 20110.19 (75.89% of Runmd) | Shake time 139.78 ( 0.53% of Runmd) | Verlet update time 1710.60 ( 6.46% of Runmd) | Ekcmr time 1954.98 ( 7.38% of Runmd) | CRD distribute time 2194.22 ( 8.28% of Runmd) | Other 389.56 ( 1.47% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 3452.85 (87.46% of List ) | Other 495.22 (12.54% of List ) | List time 3948.07 (22.68% of Nonbo) | Short_ene time 5855.09 (83.49% of Direc) | Other 1157.72 (16.51% of Direc) | Direct Ewald time 7012.81 (52.12% of Ewald) | Adjust Ewald time 66.44 ( 0.49% of Ewald) | Self Ewald time 0.87 ( 0.01% of Ewald) | Fill Bspline coeffs 452.64 ( 9.76% of Recip) | Fill charge grid 274.44 ( 5.92% of Recip) | Scalar sum 538.07 (11.61% of Recip) | Grad sum 402.93 ( 8.69% of Recip) | FFT back comm time 1539.05 (54.63% of FFT t) | Other 1278.09 (45.37% of FFT t) | FFT time 2817.14 (60.76% of Recip) | Other 151.11 ( 3.26% of Recip) | Recip Ewald time 4636.32 (34.46% of Ewald) | Force Adjust 1219.49 ( 9.06% of Ewald) | Virial junk 513.84 ( 3.82% of Ewald) | Other 3.87 ( 0.03% of Ewald) | Ewald time 13454.28 (77.30% of Nonbo) | Other 2.28 ( 0.01% of Nonbo) | Nonbond force 17405.10 (86.50% of Force) | Bond/Angle/Dihedral 114.49 ( 0.57% of Force) | FRC Collect time 2249.65 (11.18% of Force) | Other 351.85 ( 1.75% of Force) | Force time 20121.10 (75.93% of Runmd) | Shake time 145.66 ( 0.55% of Runmd) | Verlet update time 1798.40 ( 6.79% of Runmd) | Ekcmr time 1731.10 ( 6.53% of Runmd) | CRD distribute time 2266.21 ( 8.55% of Runmd) | Other 436.86 ( 1.65% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 3477.91 (88.55% of List ) | Other 449.78 (11.45% of List ) | List time 3927.69 (22.54% of Nonbo) | Short_ene time 5690.37 (84.46% of Direc) | Other 1046.83 (15.54% of Direc) | Direct Ewald time 6737.20 (49.93% of Ewald) | Adjust Ewald time 65.78 ( 0.49% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 414.88 ( 8.87% of Recip) | Fill charge grid 266.59 ( 5.70% of Recip) | Scalar sum 538.46 (11.51% of Recip) | Grad sum 379.72 ( 8.12% of Recip) | FFT back comm time 1538.41 (53.06% of FFT t) | Other 1361.22 (46.94% of FFT t) | FFT time 2899.63 (61.97% of Recip) | Other 179.46 ( 3.84% of Recip) | Recip Ewald time 4678.74 (34.68% of Ewald) | Force Adjust 1475.88 (10.94% of Ewald) | Virial junk 529.34 ( 3.92% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 3.88 ( 0.03% of Ewald) | Ewald time 13492.37 (77.44% of Nonbo) | Other 2.27 ( 0.01% of Nonbo) | Nonbond force 17422.81 (86.63% of Force) | Bond/Angle/Dihedral 112.74 ( 0.56% of Force) | FRC Collect time 2259.51 (11.23% of Force) | Other 316.63 ( 1.57% of Force) | Force time 20111.70 (75.90% of Runmd) | Shake time 136.42 ( 0.51% of Runmd) | Verlet update time 1730.30 ( 6.53% of Runmd) | Ekcmr time 1877.22 ( 7.08% of Runmd) | CRD distribute time 2239.89 ( 8.45% of Runmd) | Other 403.80 ( 1.52% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 3462.82 (87.91% of List ) | Other 476.42 (12.09% of List ) | List time 3939.23 (22.62% of Nonbo) | Short_ene time 5845.04 (84.39% of Direc) | Other 1081.14 (15.61% of Direc) | Direct Ewald time 6926.19 (51.41% of Ewald) | Adjust Ewald time 65.94 ( 0.49% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 430.37 ( 9.22% of Recip) | Fill charge grid 267.04 ( 5.72% of Recip) | Scalar sum 538.15 (11.53% of Recip) | Grad sum 386.54 ( 8.28% of Recip) | FFT back comm time 1539.29 (53.66% of FFT t) | Other 1329.37 (46.34% of FFT t) | FFT time 2868.66 (61.48% of Recip) | Other 175.54 ( 3.76% of Recip) | Recip Ewald time 4666.30 (34.64% of Ewald) | Force Adjust 1289.15 ( 9.57% of Ewald) | Virial junk 518.83 ( 3.85% of Ewald) | Other 3.89 ( 0.03% of Ewald) | Ewald time 13471.86 (77.36% of Nonbo) | Other 2.29 ( 0.01% of Nonbo) | Nonbond force 17413.84 (86.54% of Force) | Bond/Angle/Dihedral 113.34 ( 0.56% of Force) | FRC Collect time 2249.28 (11.18% of Force) | Other 345.51 ( 1.72% of Force) | Force time 20121.97 (75.93% of Runmd) | Shake time 140.40 ( 0.53% of Runmd) | Verlet update time 1788.05 ( 6.75% of Runmd) | Ekcmr time 1662.10 ( 6.27% of Runmd) | CRD distribute time 2373.50 ( 8.96% of Runmd) | Other 413.31 ( 1.56% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 3490.60 (88.74% of List ) | Other 442.94 (11.26% of List ) | List time 3933.54 (22.55% of Nonbo) | Short_ene time 5943.30 (85.58% of Direc) | Other 1001.31 (14.42% of Direc) | Direct Ewald time 6944.61 (51.42% of Ewald) | Adjust Ewald time 65.23 ( 0.48% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 392.43 ( 8.37% of Recip) | Fill charge grid 260.83 ( 5.57% of Recip) | Scalar sum 537.64 (11.47% of Recip) | Grad sum 366.15 ( 7.81% of Recip) | FFT back comm time 1491.86 (51.24% of FFT t) | Other 1419.73 (48.76% of FFT t) | FFT time 2911.59 (62.12% of Recip) | Other 218.09 ( 4.65% of Recip) | Recip Ewald time 4686.72 (34.70% of Ewald) | Force Adjust 1267.45 ( 9.39% of Ewald) | Virial junk 535.48 ( 3.97% of Ewald) | Other 3.75 ( 0.03% of Ewald) | Ewald time 13504.74 (77.43% of Nonbo) | Other 2.23 ( 0.01% of Nonbo) | Nonbond force 17440.98 (86.77% of Force) | Bond/Angle/Dihedral 109.82 ( 0.55% of Force) | FRC Collect time 2239.98 (11.14% of Force) | Other 309.34 ( 1.54% of Force) | Force time 20100.12 (75.85% of Runmd) | Shake time 141.11 ( 0.53% of Runmd) | Verlet update time 1711.87 ( 6.46% of Runmd) | Ekcmr time 1904.80 ( 7.19% of Runmd) | CRD distribute time 2266.35 ( 8.55% of Runmd) | Other 375.08 ( 1.42% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 3445.51 (87.25% of List ) | Other 503.62 (12.75% of List ) | List time 3949.13 (22.70% of Nonbo) | Short_ene time 5921.63 (83.52% of Direc) | Other 1168.78 (16.48% of Direc) | Direct Ewald time 7090.41 (52.74% of Ewald) | Adjust Ewald time 66.69 ( 0.50% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 459.98 ( 9.94% of Recip) | Fill charge grid 272.04 ( 5.88% of Recip) | Scalar sum 538.74 (11.64% of Recip) | Grad sum 411.37 ( 8.89% of Recip) | FFT back comm time 1488.23 (53.47% of FFT t) | Other 1294.86 (46.53% of FFT t) | FFT time 2783.09 (60.13% of Recip) | Other 162.85 ( 3.52% of Recip) | Recip Ewald time 4628.07 (34.42% of Ewald) | Force Adjust 1144.73 ( 8.51% of Ewald) | Virial junk 508.98 ( 3.79% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 3.92 ( 0.03% of Ewald) | Ewald time 13444.35 (77.28% of Nonbo) | Other 2.32 ( 0.01% of Nonbo) | Nonbond force 17396.25 (86.51% of Force) | Bond/Angle/Dihedral 116.82 ( 0.58% of Force) | FRC Collect time 2234.53 (11.11% of Force) | Other 362.36 ( 1.80% of Force) | Force time 20109.96 (75.89% of Runmd) | Shake time 148.17 ( 0.56% of Runmd) | Verlet update time 1811.00 ( 6.83% of Runmd) | Ekcmr time 1617.85 ( 6.11% of Runmd) | CRD distribute time 2362.72 ( 8.92% of Runmd) | Other 449.62 ( 1.70% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 3488.74 (88.91% of List ) | Other 435.31 (11.09% of List ) | List time 3924.04 (22.51% of Nonbo) | Short_ene time 5924.29 (85.66% of Direc) | Other 992.00 (14.34% of Direc) | Direct Ewald time 6916.29 (51.21% of Ewald) | Adjust Ewald time 65.65 ( 0.49% of Ewald) | Self Ewald time 0.90 ( 0.01% of Ewald) | Fill Bspline coeffs 369.31 ( 7.87% of Recip) | Fill charge grid 175.87 ( 3.75% of Recip) | Scalar sum 360.20 ( 7.68% of Recip) | Grad sum 278.64 ( 5.94% of Recip) | FFT back comm time 1490.64 (47.39% of FFT t) | Other 1654.85 (52.61% of FFT t) | FFT time 3145.48 (67.05% of Recip) | Other 361.46 ( 7.71% of Recip) | Recip Ewald time 4690.97 (34.74% of Ewald) | Force Adjust 1296.60 ( 9.60% of Ewald) | Virial junk 529.41 ( 3.92% of Ewald) | Start sycnronization 0.72 ( 0.01% of Ewald) | Other 3.98 ( 0.03% of Ewald) | Ewald time 13504.51 (77.47% of Nonbo) | Other 2.32 ( 0.01% of Nonbo) | Nonbond force 17431.36 (86.72% of Force) | Bond/Angle/Dihedral 113.34 ( 0.56% of Force) | FRC Collect time 2236.37 (11.13% of Force) | Other 320.73 ( 1.60% of Force) | Force time 20101.81 (75.86% of Runmd) | Shake time 140.56 ( 0.53% of Runmd) | Verlet update time 1725.15 ( 6.51% of Runmd) | Ekcmr time 1859.55 ( 7.02% of Runmd) | CRD distribute time 2296.37 ( 8.67% of Runmd) | Other 375.89 ( 1.42% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 3444.21 (87.32% of List ) | Other 500.00 (12.68% of List ) | List time 3944.21 (22.68% of Nonbo) | Short_ene time 6071.66 (84.27% of Direc) | Other 1133.77 (15.73% of Direc) | Direct Ewald time 7205.43 (53.59% of Ewald) | Adjust Ewald time 66.04 ( 0.49% of Ewald) | Self Ewald time 0.90 ( 0.01% of Ewald) | Fill Bspline coeffs 403.25 ( 8.70% of Recip) | Fill charge grid 186.17 ( 4.02% of Recip) | Scalar sum 358.98 ( 7.75% of Recip) | Grad sum 293.46 ( 6.33% of Recip) | FFT back comm time 1504.35 (49.30% of FFT t) | Other 1547.19 (50.70% of FFT t) | FFT time 3051.54 (65.87% of Recip) | Other 339.57 ( 7.33% of Recip) | Recip Ewald time 4632.97 (34.46% of Ewald) | Force Adjust 1021.61 ( 7.60% of Ewald) | Virial junk 514.97 ( 3.83% of Ewald) | Other 3.87 ( 0.03% of Ewald) | Ewald time 13446.40 (77.31% of Nonbo) | Other 2.33 ( 0.01% of Nonbo) | Nonbond force 17393.39 (86.49% of Force) | Bond/Angle/Dihedral 113.15 ( 0.56% of Force) | FRC Collect time 2229.67 (11.09% of Force) | Other 372.94 ( 1.85% of Force) | Force time 20109.15 (75.89% of Runmd) | Shake time 148.45 ( 0.56% of Runmd) | Verlet update time 1808.86 ( 6.83% of Runmd) | Ekcmr time 1486.92 ( 5.61% of Runmd) | CRD distribute time 2514.95 ( 9.49% of Runmd) | Other 431.00 ( 1.63% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 3488.58 (88.80% of List ) | Other 440.06 (11.20% of List ) | List time 3928.64 (22.53% of Nonbo) | Short_ene time 5906.92 (85.43% of Direc) | Other 1007.56 (14.57% of Direc) | Direct Ewald time 6914.47 (51.19% of Ewald) | Adjust Ewald time 65.45 ( 0.48% of Ewald) | Self Ewald time 0.86 ( 0.01% of Ewald) | Fill Bspline coeffs 349.11 ( 7.45% of Recip) | Fill charge grid 175.86 ( 3.75% of Recip) | Scalar sum 360.13 ( 7.69% of Recip) | Grad sum 269.71 ( 5.76% of Recip) | FFT back comm time 1512.78 (47.77% of FFT t) | Other 1653.96 (52.23% of FFT t) | FFT time 3166.74 (67.60% of Recip) | Other 362.67 ( 7.74% of Recip) | Recip Ewald time 4684.22 (34.68% of Ewald) | Force Adjust 1299.03 ( 9.62% of Ewald) | Virial junk 538.72 ( 3.99% of Ewald) | Other 3.72 ( 0.03% of Ewald) | Ewald time 13507.09 (77.46% of Nonbo) | Other 2.10 ( 0.01% of Nonbo) | Nonbond force 17438.26 (86.75% of Force) | Bond/Angle/Dihedral 112.74 ( 0.56% of Force) | FRC Collect time 2251.71 (11.20% of Force) | Other 299.74 ( 1.49% of Force) | Force time 20102.46 (75.86% of Runmd) | Shake time 141.69 ( 0.53% of Runmd) | Verlet update time 1710.55 ( 6.46% of Runmd) | Ekcmr time 1962.19 ( 7.40% of Runmd) | CRD distribute time 2192.70 ( 8.27% of Runmd) | Other 389.74 ( 1.47% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 3460.54 (87.88% of List ) | Other 477.07 (12.12% of List ) | List time 3937.61 (22.61% of Nonbo) | Short_ene time 6081.55 (84.77% of Direc) | Other 1092.61 (15.23% of Direc) | Direct Ewald time 7174.16 (53.25% of Ewald) | Adjust Ewald time 66.15 ( 0.49% of Ewald) | Self Ewald time 0.85 ( 0.01% of Ewald) | Fill Bspline coeffs 386.26 ( 8.30% of Recip) | Fill charge grid 181.89 ( 3.91% of Recip) | Scalar sum 359.99 ( 7.73% of Recip) | Grad sum 286.52 ( 6.16% of Recip) | FFT back comm time 1512.45 (48.79% of FFT t) | Other 1587.44 (51.21% of FFT t) | FFT time 3099.88 (66.60% of Recip) | Other 339.99 ( 7.30% of Recip) | Recip Ewald time 4654.52 (34.55% of Ewald) | Force Adjust 1051.49 ( 7.80% of Ewald) | Virial junk 520.83 ( 3.87% of Ewald) | Other 3.82 ( 0.03% of Ewald) | Ewald time 13472.48 (77.37% of Nonbo) | Other 2.24 ( 0.01% of Nonbo) | Nonbond force 17412.79 (86.58% of Force) | Bond/Angle/Dihedral 113.74 ( 0.57% of Force) | FRC Collect time 2244.52 (11.16% of Force) | Other 341.64 ( 1.70% of Force) | Force time 20112.70 (75.90% of Runmd) | Shake time 145.24 ( 0.55% of Runmd) | Verlet update time 1787.64 ( 6.75% of Runmd) | Ekcmr time 1751.01 ( 6.61% of Runmd) | CRD distribute time 2282.76 ( 8.61% of Runmd) | Other 419.98 ( 1.58% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.50 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 3484.76 (88.80% of List ) | Other 439.63 (11.20% of List ) | List time 3924.38 (22.52% of Nonbo) | Short_ene time 5987.93 (85.26% of Direc) | Other 1035.62 (14.74% of Direc) | Direct Ewald time 7023.56 (52.02% of Ewald) | Adjust Ewald time 65.51 ( 0.49% of Ewald) | Self Ewald time 0.83 ( 0.01% of Ewald) | Fill Bspline coeffs 372.29 ( 7.94% of Recip) | Fill charge grid 178.35 ( 3.80% of Recip) | Scalar sum 359.31 ( 7.66% of Recip) | Grad sum 277.50 ( 5.92% of Recip) | FFT back comm time 1517.26 (48.16% of FFT t) | Other 1633.36 (51.84% of FFT t) | FFT time 3150.62 (67.20% of Recip) | Other 350.43 ( 7.47% of Recip) | Recip Ewald time 4688.50 (34.73% of Ewald) | Force Adjust 1186.71 ( 8.79% of Ewald) | Virial junk 531.85 ( 3.94% of Ewald) | Other 3.85 ( 0.03% of Ewald) | Ewald time 13501.44 (77.47% of Nonbo) | Other 2.21 ( 0.01% of Nonbo) | Nonbond force 17428.49 (86.69% of Force) | Bond/Angle/Dihedral 125.10 ( 0.62% of Force) | FRC Collect time 2250.99 (11.20% of Force) | Other 299.08 ( 1.49% of Force) | Force time 20103.66 (75.86% of Runmd) | Shake time 139.60 ( 0.53% of Runmd) | Verlet update time 1735.09 ( 6.55% of Runmd) | Ekcmr time 1881.79 ( 7.10% of Runmd) | CRD distribute time 2247.16 ( 8.48% of Runmd) | Other 392.03 ( 1.48% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 3456.55 (87.60% of List ) | Other 489.30 (12.40% of List ) | List time 3945.86 (22.67% of Nonbo) | Short_ene time 5585.60 (83.26% of Direc) | Other 1122.67 (16.74% of Direc) | Direct Ewald time 6708.27 (49.86% of Ewald) | Adjust Ewald time 66.61 ( 0.50% of Ewald) | Self Ewald time 0.88 ( 0.01% of Ewald) | Fill Bspline coeffs 407.45 ( 8.76% of Recip) | Fill charge grid 187.70 ( 4.04% of Recip) | Scalar sum 359.40 ( 7.73% of Recip) | Grad sum 293.09 ( 6.30% of Recip) | FFT back comm time 1527.43 (49.76% of FFT t) | Other 1541.94 (50.24% of FFT t) | FFT time 3069.37 (66.02% of Recip) | Other 332.26 ( 7.15% of Recip) | Recip Ewald time 4649.28 (34.55% of Ewald) | Force Adjust 1509.60 (11.22% of Ewald) | Virial junk 516.13 ( 3.84% of Ewald) | Other 3.87 ( 0.03% of Ewald) | Ewald time 13455.26 (77.31% of Nonbo) | Other 2.25 ( 0.01% of Nonbo) | Nonbond force 17403.83 (86.53% of Force) | Bond/Angle/Dihedral 141.81 ( 0.71% of Force) | FRC Collect time 2242.98 (11.15% of Force) | Other 324.66 ( 1.61% of Force) | Force time 20113.29 (75.90% of Runmd) | Shake time 146.32 ( 0.55% of Runmd) | Verlet update time 1809.92 ( 6.83% of Runmd) | Ekcmr time 1594.15 ( 6.02% of Runmd) | CRD distribute time 2404.66 ( 9.07% of Runmd) | Other 430.99 ( 1.63% of Runmd) | Runmd Time 26499.33 (100.0% of Total) | Total time 26500.51 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 3434.62 ( 3249.09 3495.68 70.40) | Other 547.69 ( 426.47 971.92 161.63) | List time 3982.31 ( 3922.15 4224.50 91.67) | Short_ene time 5878.39 ( 5585.60 6266.11 176.95) | Other 1207.27 ( 992.00 1982.45 285.77) | Direct Ewald time 7085.66 ( 6627.24 7936.80 356.39) | Adjust Ewald time 70.29 ( 65.23 76.67 4.59) | Self Ewald time 0.91 ( 0.81 2.02 0.20) | Fill Bspline coeffs 451.30 ( 349.11 631.13 67.30) | Fill charge grid 257.86 ( 175.86 312.37 39.35) | Scalar sum 505.51 ( 358.98 540.68 70.07) | Grad sum 383.27 ( 269.71 506.05 59.85) | FFT back comm time 1532.01 ( 1488.23 1553.00 17.78) | Other 1279.53 ( 684.92 1654.85 252.68) | FFT time 2811.55 ( 2231.40 3166.74 245.08) | Other 188.21 ( 47.61 362.67 85.47) | Recip Ewald time 4597.70 ( 4247.36 4701.18 132.35) | Force Adjust 1128.87 ( 272.43 1588.21 358.67) | Virial junk 522.10 ( 508.98 538.72 7.90) | Other 3.88 ( 3.63 4.27 0.13) | Ewald time 13410.07 ( 13054.88 13514.08 136.18) | Other 2.29 ( 2.10 2.66 0.12) | Nonbond force 17395.14 ( 17280.58 17440.98 45.40) | Bond/Angle/Dihedral 113.97 ( 109.38 141.81 5.65) | FRC Collect time 2301.24 ( 2229.67 2637.68 105.69) | Other 360.33 ( 299.08 496.37 53.57) | Force time 20170.68 ( 20100.12 20505.42 106.32) | Shake time 162.20 ( 127.83 473.54 61.02) | Verlet update time 1747.12 ( 1464.53 2038.68 125.73) | Ekcmr time 1661.85 ( 1098.13 1962.19 236.23) | CRD distribute time 2312.30 ( 2192.64 2517.24 87.55) | Other 445.21 ( 375.08 608.01 60.54) | Runmd Time 26499.36 ( 26499.33 26500.46 0.20) | Total time 26500.54 ( 26500.50 26501.64 0.20)