|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 1466.53 (56.93% of List ) | Other 1109.43 (43.07% of List ) | List time 2575.96 (23.07% of Nonbo) | Short_ene time 2657.65 (63.48% of Direc) | Other 1528.71 (36.52% of Direc) | Direct Ewald time 4186.36 (48.75% of Ewald) | Adjust Ewald time 33.84 ( 0.39% of Ewald) | Self Ewald time 1.88 ( 0.02% of Ewald) | Fill Bspline coeffs 616.08 (18.34% of Recip) | Fill charge grid 177.44 ( 5.28% of Recip) | Scalar sum 235.96 ( 7.03% of Recip) | Grad sum 250.96 ( 7.47% of Recip) | FFT back comm time 1677.17 (82.50% of FFT t) | Other 355.83 (17.50% of FFT t) | FFT time 2033.00 (60.53% of Recip) | Other 45.24 ( 1.35% of Recip) | Recip Ewald time 3358.67 (39.11% of Ewald) | Force Adjust 235.33 ( 2.74% of Ewald) | Virial junk 770.27 ( 8.97% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8588.22 (76.92% of Nonbo) | Other 1.17 ( 0.01% of Nonbo) | Nonbond force 11165.52 (71.62% of Force) | Bond/Angle/Dihedral 49.08 ( 0.31% of Force) | FRC Collect time 3846.69 (24.67% of Force) | Other 528.45 ( 3.39% of Force) | Force time 15589.74 (67.87% of Runmd) | Shake time 185.98 ( 0.81% of Runmd) | Verlet update time 2261.89 ( 9.85% of Runmd) | Ekcmr time 2011.98 ( 8.76% of Runmd) | CRD distribute time 2456.53 (10.69% of Runmd) | Other 464.44 ( 2.02% of Runmd) | Runmd Time 22970.55 (100.0% of Total) | Other 1.16 ( 0.01% of Total) | Total time 22971.82 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 1460.68 (56.90% of List ) | Other 1106.53 (43.10% of List ) | List time 2567.21 (23.03% of Nonbo) | Short_ene time 2637.36 (63.13% of Direc) | Other 1540.62 (36.87% of Direc) | Direct Ewald time 4177.97 (48.69% of Ewald) | Adjust Ewald time 33.54 ( 0.39% of Ewald) | Fill Bspline coeffs 617.26 (18.41% of Recip) | Fill charge grid 175.66 ( 5.24% of Recip) | Scalar sum 236.26 ( 7.05% of Recip) | Grad sum 249.81 ( 7.45% of Recip) | FFT back comm time 1678.39 (82.80% of FFT t) | Other 348.62 (17.20% of FFT t) | FFT time 2027.01 (60.44% of Recip) | Other 47.53 ( 1.42% of Recip) | Recip Ewald time 3353.53 (39.08% of Ewald) | Force Adjust 241.85 ( 2.82% of Ewald) | Virial junk 771.46 ( 8.99% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 1.20 ( 0.01% of Ewald) | Ewald time 8580.52 (76.96% of Nonbo) | Other 1.14 ( 0.01% of Nonbo) | Nonbond force 11149.05 (71.79% of Force) | Bond/Angle/Dihedral 49.71 ( 0.32% of Force) | FRC Collect time 3794.69 (24.43% of Force) | Other 536.33 ( 3.45% of Force) | Force time 15529.78 (67.62% of Runmd) | Shake time 118.06 ( 0.51% of Runmd) | Verlet update time 1301.99 ( 5.67% of Runmd) | Ekcmr time 2401.68 (10.46% of Runmd) | CRD distribute time 3038.78 (13.23% of Runmd) | Other 577.21 ( 2.51% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 1466.69 (56.84% of List ) | Other 1113.68 (43.16% of List ) | List time 2580.38 (23.10% of Nonbo) | Short_ene time 2368.36 (59.50% of Direc) | Other 1611.91 (40.50% of Direc) | Direct Ewald time 3980.27 (46.35% of Ewald) | Adjust Ewald time 33.63 ( 0.39% of Ewald) | Fill Bspline coeffs 632.22 (18.83% of Recip) | Fill charge grid 171.70 ( 5.11% of Recip) | Scalar sum 236.02 ( 7.03% of Recip) | Grad sum 250.54 ( 7.46% of Recip) | FFT back comm time 1680.80 (83.20% of FFT t) | Other 339.49 (16.80% of FFT t) | FFT time 2020.29 (60.18% of Recip) | Other 46.22 ( 1.38% of Recip) | Recip Ewald time 3356.99 (39.10% of Ewald) | Force Adjust 450.69 ( 5.25% of Ewald) | Virial junk 762.83 ( 8.88% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.24 ( 0.01% of Ewald) | Ewald time 8586.63 (76.88% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11168.35 (72.30% of Force) | Bond/Angle/Dihedral 49.72 ( 0.32% of Force) | FRC Collect time 3701.62 (23.96% of Force) | Other 527.76 ( 3.42% of Force) | Force time 15447.45 (67.26% of Runmd) | Shake time 115.37 ( 0.50% of Runmd) | Verlet update time 1287.36 ( 5.61% of Runmd) | Ekcmr time 2847.11 (12.40% of Runmd) | CRD distribute time 2758.70 (12.01% of Runmd) | Other 511.51 ( 2.23% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 1457.62 (56.93% of List ) | Other 1102.65 (43.07% of List ) | List time 2560.27 (22.99% of Nonbo) | Short_ene time 2619.10 (62.28% of Direc) | Other 1586.43 (37.72% of Direc) | Direct Ewald time 4205.54 (49.06% of Ewald) | Adjust Ewald time 33.51 ( 0.39% of Ewald) | Fill Bspline coeffs 636.39 (19.01% of Recip) | Fill charge grid 167.33 ( 5.00% of Recip) | Scalar sum 236.12 ( 7.05% of Recip) | Grad sum 252.14 ( 7.53% of Recip) | FFT back comm time 1684.60 (83.73% of FFT t) | Other 327.25 (16.27% of FFT t) | FFT time 2011.85 (60.11% of Recip) | Other 43.03 ( 1.29% of Recip) | Recip Ewald time 3346.85 (39.04% of Ewald) | Force Adjust 218.17 ( 2.54% of Ewald) | Virial junk 766.58 ( 8.94% of Ewald) | Start sycnronization 0.73 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8572.88 (76.99% of Nonbo) | Other 1.22 ( 0.01% of Nonbo) | Nonbond force 11134.58 (72.12% of Force) | Bond/Angle/Dihedral 50.51 ( 0.33% of Force) | FRC Collect time 3700.90 (23.97% of Force) | Other 552.38 ( 3.58% of Force) | Force time 15438.37 (67.22% of Runmd) | Shake time 116.21 ( 0.51% of Runmd) | Verlet update time 1473.50 ( 6.42% of Runmd) | Ekcmr time 2144.06 ( 9.34% of Runmd) | CRD distribute time 3216.36 (14.00% of Runmd) | Other 579.01 ( 2.52% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 1469.87 (57.40% of List ) | Other 1090.86 (42.60% of List ) | List time 2560.73 (22.93% of Nonbo) | Short_ene time 2587.73 (62.36% of Direc) | Other 1561.66 (37.64% of Direc) | Direct Ewald time 4149.40 (48.21% of Ewald) | Adjust Ewald time 33.52 ( 0.39% of Ewald) | Fill Bspline coeffs 638.05 (18.89% of Recip) | Fill charge grid 179.82 ( 5.32% of Recip) | Scalar sum 235.74 ( 6.98% of Recip) | Grad sum 254.76 ( 7.54% of Recip) | FFT back comm time 1692.46 (83.32% of FFT t) | Other 338.82 (16.68% of FFT t) | FFT time 2031.28 (60.14% of Recip) | Other 37.70 ( 1.12% of Recip) | Recip Ewald time 3377.35 (39.24% of Ewald) | Force Adjust 280.54 ( 3.26% of Ewald) | Virial junk 763.91 ( 8.88% of Ewald) | Start sycnronization 0.91 ( 0.01% of Ewald) | Other 1.35 ( 0.02% of Ewald) | Ewald time 8607.27 (77.06% of Nonbo) | Other 1.28 ( 0.01% of Nonbo) | Nonbond force 11169.51 (72.84% of Force) | Bond/Angle/Dihedral 49.51 ( 0.32% of Force) | FRC Collect time 3588.21 (23.40% of Force) | Other 527.46 ( 3.44% of Force) | Force time 15334.68 (66.77% of Runmd) | Shake time 153.71 ( 0.67% of Runmd) | Verlet update time 1382.02 ( 6.02% of Runmd) | Ekcmr time 2524.87 (10.99% of Runmd) | CRD distribute time 2990.11 (13.02% of Runmd) | Other 582.11 ( 2.53% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 1467.34 (57.19% of List ) | Other 1098.52 (42.81% of List ) | List time 2565.86 (22.99% of Nonbo) | Short_ene time 2374.27 (59.98% of Direc) | Other 1583.85 (40.02% of Direc) | Direct Ewald time 3958.12 (46.07% of Ewald) | Adjust Ewald time 34.37 ( 0.40% of Ewald) | Fill Bspline coeffs 633.49 (18.82% of Recip) | Fill charge grid 174.24 ( 5.18% of Recip) | Scalar sum 235.62 ( 7.00% of Recip) | Grad sum 254.34 ( 7.56% of Recip) | FFT back comm time 1699.33 (83.54% of FFT t) | Other 334.93 (16.46% of FFT t) | FFT time 2034.26 (60.44% of Recip) | Other 33.75 ( 1.00% of Recip) | Recip Ewald time 3365.70 (39.17% of Ewald) | Force Adjust 459.15 ( 5.34% of Ewald) | Virial junk 772.07 ( 8.99% of Ewald) | Start sycnronization 0.82 ( 0.01% of Ewald) | Other 1.31 ( 0.02% of Ewald) | Ewald time 8591.84 (76.99% of Nonbo) | Other 1.23 ( 0.01% of Nonbo) | Nonbond force 11159.14 (72.80% of Force) | Bond/Angle/Dihedral 50.23 ( 0.33% of Force) | FRC Collect time 3588.03 (23.41% of Force) | Other 530.09 ( 3.46% of Force) | Force time 15327.48 (66.74% of Runmd) | Shake time 148.60 ( 0.65% of Runmd) | Verlet update time 1550.21 ( 6.75% of Runmd) | Ekcmr time 2007.94 ( 8.74% of Runmd) | CRD distribute time 3447.25 (15.01% of Runmd) | Other 486.03 ( 2.12% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 1469.78 (57.10% of List ) | Other 1104.07 (42.90% of List ) | List time 2573.85 (23.03% of Nonbo) | Short_ene time 2565.18 (61.83% of Direc) | Other 1583.30 (38.17% of Direc) | Direct Ewald time 4148.48 (48.24% of Ewald) | Adjust Ewald time 33.50 ( 0.39% of Ewald) | Fill Bspline coeffs 649.65 (19.27% of Recip) | Fill charge grid 165.36 ( 4.90% of Recip) | Scalar sum 235.43 ( 6.98% of Recip) | Grad sum 252.97 ( 7.50% of Recip) | FFT back comm time 1699.33 (83.58% of FFT t) | Other 333.95 (16.42% of FFT t) | FFT time 2033.29 (60.31% of Recip) | Other 34.90 ( 1.04% of Recip) | Recip Ewald time 3371.60 (39.21% of Ewald) | Force Adjust 278.39 ( 3.24% of Ewald) | Virial junk 765.38 ( 8.90% of Ewald) | Start sycnronization 0.76 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8599.58 (76.95% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11174.85 (72.87% of Force) | Bond/Angle/Dihedral 50.11 ( 0.33% of Force) | FRC Collect time 3587.55 (23.39% of Force) | Other 523.00 ( 3.41% of Force) | Force time 15335.51 (66.77% of Runmd) | Shake time 146.39 ( 0.64% of Runmd) | Verlet update time 1534.47 ( 6.68% of Runmd) | Ekcmr time 2232.00 ( 9.72% of Runmd) | CRD distribute time 3221.68 (14.03% of Runmd) | Other 497.45 ( 2.17% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 1462.49 (56.86% of List ) | Other 1109.42 (43.14% of List ) | List time 2571.91 (23.07% of Nonbo) | Short_ene time 2560.71 (62.34% of Direc) | Other 1546.97 (37.66% of Direc) | Direct Ewald time 4107.68 (47.91% of Ewald) | Adjust Ewald time 33.85 ( 0.39% of Ewald) | Fill Bspline coeffs 647.86 (19.35% of Recip) | Fill charge grid 161.92 ( 4.84% of Recip) | Scalar sum 235.46 ( 7.03% of Recip) | Grad sum 253.47 ( 7.57% of Recip) | FFT back comm time 1705.92 (84.49% of FFT t) | Other 313.06 (15.51% of FFT t) | FFT time 2018.98 (60.29% of Recip) | Other 31.04 ( 0.93% of Recip) | Recip Ewald time 3348.74 (39.06% of Ewald) | Force Adjust 311.52 ( 3.63% of Ewald) | Virial junk 769.64 ( 8.98% of Ewald) | Start sycnronization 0.68 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8573.53 (76.91% of Nonbo) | Other 1.17 ( 0.01% of Nonbo) | Nonbond force 11146.79 (72.72% of Force) | Bond/Angle/Dihedral 50.89 ( 0.33% of Force) | FRC Collect time 3586.95 (23.40% of Force) | Other 543.66 ( 3.55% of Force) | Force time 15328.29 (66.74% of Runmd) | Shake time 150.41 ( 0.65% of Runmd) | Verlet update time 1647.77 ( 7.17% of Runmd) | Ekcmr time 1809.75 ( 7.88% of Runmd) | CRD distribute time 3518.00 (15.32% of Runmd) | Other 513.29 ( 2.23% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 1469.64 (57.46% of List ) | Other 1088.08 (42.54% of List ) | List time 2557.72 (22.92% of Nonbo) | Short_ene time 2354.38 (59.57% of Direc) | Other 1597.79 (40.43% of Direc) | Direct Ewald time 3952.17 (45.97% of Ewald) | Adjust Ewald time 33.70 ( 0.39% of Ewald) | Fill Bspline coeffs 612.49 (18.17% of Recip) | Fill charge grid 183.61 ( 5.45% of Recip) | Scalar sum 236.00 ( 7.00% of Recip) | Grad sum 254.22 ( 7.54% of Recip) | FFT back comm time 1700.14 (82.91% of FFT t) | Other 350.52 (17.09% of FFT t) | FFT time 2050.66 (60.84% of Recip) | Other 33.35 ( 0.99% of Recip) | Recip Ewald time 3370.33 (39.20% of Ewald) | Force Adjust 477.90 ( 5.56% of Ewald) | Virial junk 761.32 ( 8.85% of Ewald) | Start sycnronization 0.83 ( 0.01% of Ewald) | Other 1.31 ( 0.02% of Ewald) | Ewald time 8597.84 (77.06% of Nonbo) | Other 1.15 ( 0.01% of Nonbo) | Nonbond force 11156.92 (73.14% of Force) | Bond/Angle/Dihedral 50.27 ( 0.33% of Force) | FRC Collect time 3512.48 (23.03% of Force) | Other 535.28 ( 3.51% of Force) | Force time 15254.94 (66.42% of Runmd) | Shake time 175.83 ( 0.77% of Runmd) | Verlet update time 1164.50 ( 5.07% of Runmd) | Ekcmr time 4184.08 (18.22% of Runmd) | CRD distribute time 1890.87 ( 8.23% of Runmd) | Other 297.27 ( 1.29% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 1462.89 (57.11% of List ) | Other 1098.53 (42.89% of List ) | List time 2561.42 (22.99% of Nonbo) | Short_ene time 2524.00 (61.34% of Direc) | Other 1590.92 (38.66% of Direc) | Direct Ewald time 4114.92 (47.95% of Ewald) | Adjust Ewald time 33.09 ( 0.39% of Ewald) | Fill Bspline coeffs 631.90 (18.83% of Recip) | Fill charge grid 164.38 ( 4.90% of Recip) | Scalar sum 236.14 ( 7.04% of Recip) | Grad sum 254.81 ( 7.59% of Recip) | FFT back comm time 1699.19 (83.48% of FFT t) | Other 336.19 (16.52% of FFT t) | FFT time 2035.37 (60.66% of Recip) | Other 32.61 ( 0.97% of Recip) | Recip Ewald time 3355.21 (39.10% of Ewald) | Force Adjust 306.90 ( 3.58% of Ewald) | Virial junk 768.69 ( 8.96% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 1.17 ( 0.01% of Ewald) | Ewald time 8580.88 (77.00% of Nonbo) | Other 1.15 ( 0.01% of Nonbo) | Nonbond force 11143.62 (73.09% of Force) | Bond/Angle/Dihedral 50.19 ( 0.33% of Force) | FRC Collect time 3512.75 (23.04% of Force) | Other 539.05 ( 3.54% of Force) | Force time 15245.62 (66.38% of Runmd) | Shake time 173.83 ( 0.76% of Runmd) | Verlet update time 1269.04 ( 5.53% of Runmd) | Ekcmr time 3511.39 (15.29% of Runmd) | CRD distribute time 2355.22 (10.25% of Runmd) | Other 412.39 ( 1.80% of Runmd) | Runmd Time 22967.49 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 1470.82 (57.00% of List ) | Other 1109.65 (43.00% of List ) | List time 2580.47 (23.09% of Nonbo) | Short_ene time 2605.40 (62.83% of Direc) | Other 1541.50 (37.17% of Direc) | Direct Ewald time 4146.90 (48.26% of Ewald) | Adjust Ewald time 33.13 ( 0.39% of Ewald) | Fill Bspline coeffs 633.50 (18.82% of Recip) | Fill charge grid 171.04 ( 5.08% of Recip) | Scalar sum 236.15 ( 7.01% of Recip) | Grad sum 257.84 ( 7.66% of Recip) | FFT back comm time 1700.87 (83.44% of FFT t) | Other 337.58 (16.56% of FFT t) | FFT time 2038.46 (60.55% of Recip) | Other 29.61 ( 0.88% of Recip) | Recip Ewald time 3366.59 (39.18% of Ewald) | Force Adjust 287.20 ( 3.34% of Ewald) | Virial junk 756.89 ( 8.81% of Ewald) | Start sycnronization 0.75 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8592.97 (76.90% of Nonbo) | Other 1.10 ( 0.01% of Nonbo) | Nonbond force 11174.75 (73.24% of Force) | Bond/Angle/Dihedral 50.10 ( 0.33% of Force) | FRC Collect time 3513.52 (23.03% of Force) | Other 518.76 ( 3.40% of Force) | Force time 15257.13 (66.43% of Runmd) | Shake time 173.21 ( 0.75% of Runmd) | Verlet update time 1395.33 ( 6.08% of Runmd) | Ekcmr time 2959.79 (12.89% of Runmd) | CRD distribute time 2721.00 (11.85% of Runmd) | Other 461.04 ( 2.01% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 1462.82 (57.12% of List ) | Other 1098.26 (42.88% of List ) | List time 2561.08 (22.99% of Nonbo) | Short_ene time 2359.48 (59.80% of Direc) | Other 1586.17 (40.20% of Direc) | Direct Ewald time 3945.65 (46.01% of Ewald) | Adjust Ewald time 33.67 ( 0.39% of Ewald) | Fill Bspline coeffs 629.66 (18.79% of Recip) | Fill charge grid 174.87 ( 5.22% of Recip) | Scalar sum 236.37 ( 7.05% of Recip) | Grad sum 259.38 ( 7.74% of Recip) | FFT back comm time 1702.85 (84.12% of FFT t) | Other 321.41 (15.88% of FFT t) | FFT time 2024.26 (60.40% of Recip) | Other 26.78 ( 0.80% of Recip) | Recip Ewald time 3351.32 (39.08% of Ewald) | Force Adjust 485.95 ( 5.67% of Ewald) | Virial junk 757.18 ( 8.83% of Ewald) | Start sycnronization 0.76 ( 0.01% of Ewald) | Other 1.29 ( 0.02% of Ewald) | Ewald time 8576.11 (76.99% of Nonbo) | Other 1.22 ( 0.01% of Nonbo) | Nonbond force 11138.61 (73.05% of Force) | Bond/Angle/Dihedral 51.04 ( 0.33% of Force) | FRC Collect time 3513.31 (23.04% of Force) | Other 544.86 ( 3.57% of Force) | Force time 15247.81 (66.39% of Runmd) | Shake time 176.08 ( 0.77% of Runmd) | Verlet update time 1436.24 ( 6.25% of Runmd) | Ekcmr time 2606.79 (11.35% of Runmd) | CRD distribute time 2952.18 (12.85% of Runmd) | Other 548.40 ( 2.39% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 1469.70 (57.21% of List ) | Other 1099.46 (42.79% of List ) | List time 2569.16 (23.00% of Nonbo) | Short_ene time 2448.28 (60.46% of Direc) | Other 1601.00 (39.54% of Direc) | Direct Ewald time 4049.28 (47.08% of Ewald) | Adjust Ewald time 34.16 ( 0.40% of Ewald) | Fill Bspline coeffs 629.40 (18.66% of Recip) | Fill charge grid 174.22 ( 5.16% of Recip) | Scalar sum 236.02 ( 7.00% of Recip) | Grad sum 256.30 ( 7.60% of Recip) | FFT back comm time 1704.98 (83.21% of FFT t) | Other 344.01 (16.79% of FFT t) | FFT time 2048.99 (60.74% of Recip) | Other 28.71 ( 0.85% of Recip) | Recip Ewald time 3373.63 (39.23% of Ewald) | Force Adjust 381.90 ( 4.44% of Ewald) | Virial junk 759.01 ( 8.83% of Ewald) | Start sycnronization 0.74 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8600.23 (76.99% of Nonbo) | Other 1.22 ( 0.01% of Nonbo) | Nonbond force 11170.81 (73.22% of Force) | Bond/Angle/Dihedral 50.31 ( 0.33% of Force) | FRC Collect time 3512.34 (23.02% of Force) | Other 523.37 ( 3.43% of Force) | Force time 15256.83 (66.43% of Runmd) | Shake time 175.64 ( 0.76% of Runmd) | Verlet update time 1382.51 ( 6.02% of Runmd) | Ekcmr time 2828.16 (12.31% of Runmd) | CRD distribute time 2821.96 (12.29% of Runmd) | Other 502.40 ( 2.19% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 1461.91 (57.10% of List ) | Other 1098.17 (42.90% of List ) | List time 2560.08 (22.98% of Nonbo) | Short_ene time 2547.40 (62.12% of Direc) | Other 1553.66 (37.88% of Direc) | Direct Ewald time 4101.06 (47.80% of Ewald) | Adjust Ewald time 33.11 ( 0.39% of Ewald) | Fill Bspline coeffs 632.96 (18.87% of Recip) | Fill charge grid 168.80 ( 5.03% of Recip) | Scalar sum 235.85 ( 7.03% of Recip) | Grad sum 257.96 ( 7.69% of Recip) | FFT back comm time 1706.37 (83.95% of FFT t) | Other 326.28 (16.05% of FFT t) | FFT time 2032.65 (60.58% of Recip) | Other 26.92 ( 0.80% of Recip) | Recip Ewald time 3355.13 (39.10% of Ewald) | Force Adjust 321.45 ( 3.75% of Ewald) | Virial junk 767.42 ( 8.94% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8580.32 (77.01% of Nonbo) | Other 1.07 ( 0.01% of Nonbo) | Nonbond force 11141.65 (73.07% of Force) | Bond/Angle/Dihedral 50.68 ( 0.33% of Force) | FRC Collect time 3512.21 (23.03% of Force) | Other 542.88 ( 3.56% of Force) | Force time 15247.42 (66.39% of Runmd) | Shake time 176.11 ( 0.77% of Runmd) | Verlet update time 1525.13 ( 6.64% of Runmd) | Ekcmr time 2314.12 (10.08% of Runmd) | CRD distribute time 3265.75 (14.22% of Runmd) | Other 438.97 ( 1.91% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 1473.78 (57.32% of List ) | Other 1097.41 (42.68% of List ) | List time 2571.19 (23.01% of Nonbo) | Short_ene time 2353.39 (59.57% of Direc) | Other 1597.12 (40.43% of Direc) | Direct Ewald time 3950.52 (45.94% of Ewald) | Adjust Ewald time 33.49 ( 0.39% of Ewald) | Fill Bspline coeffs 628.78 (18.64% of Recip) | Fill charge grid 176.06 ( 5.22% of Recip) | Scalar sum 235.75 ( 6.99% of Recip) | Grad sum 257.45 ( 7.63% of Recip) | FFT back comm time 1708.14 (83.37% of FFT t) | Other 340.82 (16.63% of FFT t) | FFT time 2048.96 (60.73% of Recip) | Other 26.63 ( 0.79% of Recip) | Recip Ewald time 3373.63 (39.23% of Ewald) | Force Adjust 485.06 ( 5.64% of Ewald) | Virial junk 754.74 ( 8.78% of Ewald) | Start sycnronization 0.77 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8599.74 (76.97% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11172.29 (73.23% of Force) | Bond/Angle/Dihedral 50.73 ( 0.33% of Force) | FRC Collect time 3512.00 (23.02% of Force) | Other 521.68 ( 3.42% of Force) | Force time 15256.71 (66.43% of Runmd) | Shake time 176.54 ( 0.77% of Runmd) | Verlet update time 1433.31 ( 6.24% of Runmd) | Ekcmr time 2553.76 (11.12% of Runmd) | CRD distribute time 3111.31 (13.55% of Runmd) | Other 435.87 ( 1.90% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 1461.43 (56.77% of List ) | Other 1112.66 (43.23% of List ) | List time 2574.09 (23.08% of Nonbo) | Short_ene time 2392.43 (59.44% of Direc) | Other 1632.53 (40.56% of Direc) | Direct Ewald time 4024.96 (46.93% of Ewald) | Adjust Ewald time 33.65 ( 0.39% of Ewald) | Fill Bspline coeffs 643.13 (19.18% of Recip) | Fill charge grid 168.16 ( 5.02% of Recip) | Scalar sum 235.83 ( 7.03% of Recip) | Grad sum 258.37 ( 7.71% of Recip) | FFT back comm time 1709.67 (84.52% of FFT t) | Other 313.11 (15.48% of FFT t) | FFT time 2022.78 (60.33% of Recip) | Other 24.70 ( 0.74% of Recip) | Recip Ewald time 3352.96 (39.09% of Ewald) | Force Adjust 400.90 ( 4.67% of Ewald) | Virial junk 762.65 ( 8.89% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8577.22 (76.91% of Nonbo) | Other 1.14 ( 0.01% of Nonbo) | Nonbond force 11152.63 (73.14% of Force) | Bond/Angle/Dihedral 51.28 ( 0.34% of Force) | FRC Collect time 3511.52 (23.03% of Force) | Other 532.35 ( 3.49% of Force) | Force time 15247.78 (66.39% of Runmd) | Shake time 177.43 ( 0.77% of Runmd) | Verlet update time 1631.60 ( 7.10% of Runmd) | Ekcmr time 2161.92 ( 9.41% of Runmd) | CRD distribute time 3315.68 (14.44% of Runmd) | Other 433.08 ( 1.89% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 1465.37 (57.23% of List ) | Other 1095.00 (42.77% of List ) | List time 2560.37 (22.96% of Nonbo) | Short_ene time 2611.46 (62.65% of Direc) | Other 1557.05 (37.35% of Direc) | Direct Ewald time 4168.51 (48.52% of Ewald) | Adjust Ewald time 33.11 ( 0.39% of Ewald) | Fill Bspline coeffs 625.40 (18.60% of Recip) | Fill charge grid 172.52 ( 5.13% of Recip) | Scalar sum 236.35 ( 7.03% of Recip) | Grad sum 256.28 ( 7.62% of Recip) | FFT back comm time 1673.82 (82.28% of FFT t) | Other 360.36 (17.72% of FFT t) | FFT time 2034.18 (60.50% of Recip) | Other 37.78 ( 1.12% of Recip) | Recip Ewald time 3362.51 (39.14% of Ewald) | Force Adjust 264.57 ( 3.08% of Ewald) | Virial junk 760.44 ( 8.85% of Ewald) | Start sycnronization 0.71 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8591.36 (77.03% of Nonbo) | Other 1.19 ( 0.01% of Nonbo) | Nonbond force 11153.11 (73.66% of Force) | Bond/Angle/Dihedral 50.70 ( 0.33% of Force) | FRC Collect time 3401.07 (22.46% of Force) | Other 536.53 ( 3.54% of Force) | Force time 15141.41 (65.93% of Runmd) | Shake time 173.53 ( 0.76% of Runmd) | Verlet update time 1276.93 ( 5.56% of Runmd) | Ekcmr time 4120.27 (17.94% of Runmd) | CRD distribute time 1919.82 ( 8.36% of Runmd) | Other 335.53 ( 1.46% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 1457.91 (57.20% of List ) | Other 1090.71 (42.80% of List ) | List time 2548.61 (22.89% of Nonbo) | Short_ene time 2381.12 (59.93% of Direc) | Other 1592.08 (40.07% of Direc) | Direct Ewald time 3973.20 (46.29% of Ewald) | Adjust Ewald time 33.58 ( 0.39% of Ewald) | Fill Bspline coeffs 632.45 (18.84% of Recip) | Fill charge grid 170.31 ( 5.07% of Recip) | Scalar sum 236.38 ( 7.04% of Recip) | Grad sum 258.16 ( 7.69% of Recip) | FFT back comm time 1674.07 (82.68% of FFT t) | Other 350.66 (17.32% of FFT t) | FFT time 2024.73 (60.31% of Recip) | Other 34.99 ( 1.04% of Recip) | Recip Ewald time 3357.01 (39.11% of Ewald) | Force Adjust 454.68 ( 5.30% of Ewald) | Virial junk 762.03 ( 8.88% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8582.71 (77.09% of Nonbo) | Other 1.13 ( 0.01% of Nonbo) | Nonbond force 11132.65 (73.57% of Force) | Bond/Angle/Dihedral 52.19 ( 0.34% of Force) | FRC Collect time 3401.29 (22.48% of Force) | Other 545.52 ( 3.61% of Force) | Force time 15131.65 (65.88% of Runmd) | Shake time 174.77 ( 0.76% of Runmd) | Verlet update time 1453.56 ( 6.33% of Runmd) | Ekcmr time 3129.16 (13.62% of Runmd) | CRD distribute time 2606.91 (11.35% of Runmd) | Other 471.44 ( 2.05% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 1464.87 (56.98% of List ) | Other 1105.86 (43.02% of List ) | List time 2570.73 (23.04% of Nonbo) | Short_ene time 2342.95 (59.21% of Direc) | Other 1613.83 (40.79% of Direc) | Direct Ewald time 3956.77 (46.08% of Ewald) | Adjust Ewald time 33.84 ( 0.39% of Ewald) | Fill Bspline coeffs 629.31 (18.75% of Recip) | Fill charge grid 173.12 ( 5.16% of Recip) | Scalar sum 236.38 ( 7.04% of Recip) | Grad sum 259.12 ( 7.72% of Recip) | FFT back comm time 1675.41 (82.70% of FFT t) | Other 350.55 (17.30% of FFT t) | FFT time 2025.96 (60.35% of Recip) | Other 33.14 ( 0.99% of Recip) | Recip Ewald time 3357.03 (39.10% of Ewald) | Force Adjust 480.67 ( 5.60% of Ewald) | Virial junk 755.85 ( 8.80% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8586.37 (76.95% of Nonbo) | Other 1.07 ( 0.01% of Nonbo) | Nonbond force 11158.36 (73.69% of Force) | Bond/Angle/Dihedral 50.53 ( 0.33% of Force) | FRC Collect time 3400.96 (22.46% of Force) | Other 532.38 ( 3.52% of Force) | Force time 15142.24 (65.93% of Runmd) | Shake time 175.36 ( 0.76% of Runmd) | Verlet update time 1413.38 ( 6.15% of Runmd) | Ekcmr time 3422.22 (14.90% of Runmd) | CRD distribute time 2391.47 (10.41% of Runmd) | Other 422.83 ( 1.84% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 1459.02 (56.81% of List ) | Other 1109.37 (43.19% of List ) | List time 2568.39 (23.06% of Nonbo) | Short_ene time 2582.49 (62.27% of Direc) | Other 1564.70 (37.73% of Direc) | Direct Ewald time 4147.18 (48.39% of Ewald) | Adjust Ewald time 33.37 ( 0.39% of Ewald) | Fill Bspline coeffs 640.16 (19.14% of Recip) | Fill charge grid 167.86 ( 5.02% of Recip) | Scalar sum 236.07 ( 7.06% of Recip) | Grad sum 260.31 ( 7.78% of Recip) | FFT back comm time 1676.70 (83.47% of FFT t) | Other 332.05 (16.53% of FFT t) | FFT time 2008.76 (60.06% of Recip) | Other 31.18 ( 0.93% of Recip) | Recip Ewald time 3344.35 (39.02% of Ewald) | Force Adjust 285.20 ( 3.33% of Ewald) | Virial junk 757.97 ( 8.84% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 1.17 ( 0.01% of Ewald) | Ewald time 8570.14 (76.93% of Nonbo) | Other 1.15 ( 0.01% of Nonbo) | Nonbond force 11139.85 (73.61% of Force) | Bond/Angle/Dihedral 52.25 ( 0.35% of Force) | FRC Collect time 3400.55 (22.47% of Force) | Other 540.02 ( 3.57% of Force) | Force time 15132.67 (65.89% of Runmd) | Shake time 176.36 ( 0.77% of Runmd) | Verlet update time 1532.49 ( 6.67% of Runmd) | Ekcmr time 2772.15 (12.07% of Runmd) | CRD distribute time 2855.17 (12.43% of Runmd) | Other 498.67 ( 2.17% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 1472.75 (57.57% of List ) | Other 1085.26 (42.43% of List ) | List time 2558.00 (22.89% of Nonbo) | Short_ene time 2388.81 (60.15% of Direc) | Other 1582.34 (39.85% of Direc) | Direct Ewald time 3971.15 (46.09% of Ewald) | Adjust Ewald time 33.87 ( 0.39% of Ewald) | Fill Bspline coeffs 622.13 (18.37% of Recip) | Fill charge grid 185.90 ( 5.49% of Recip) | Scalar sum 235.78 ( 6.96% of Recip) | Grad sum 260.39 ( 7.69% of Recip) | FFT back comm time 1682.62 (81.91% of FFT t) | Other 371.56 (18.09% of FFT t) | FFT time 2054.17 (60.64% of Recip) | Other 29.07 ( 0.86% of Recip) | Recip Ewald time 3387.44 (39.32% of Ewald) | Force Adjust 466.25 ( 5.41% of Ewald) | Virial junk 754.52 ( 8.76% of Ewald) | Start sycnronization 0.82 ( 0.01% of Ewald) | Other 1.31 ( 0.02% of Ewald) | Ewald time 8615.65 (77.10% of Nonbo) | Other 1.13 ( 0.01% of Nonbo) | Nonbond force 11174.99 (73.80% of Force) | Bond/Angle/Dihedral 51.67 ( 0.34% of Force) | FRC Collect time 3400.15 (22.46% of Force) | Other 515.21 ( 3.40% of Force) | Force time 15142.02 (65.93% of Runmd) | Shake time 175.75 ( 0.77% of Runmd) | Verlet update time 1515.16 ( 6.60% of Runmd) | Ekcmr time 2849.62 (12.41% of Runmd) | CRD distribute time 2786.74 (12.13% of Runmd) | Other 498.21 ( 2.17% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 1468.18 (57.24% of List ) | Other 1096.65 (42.76% of List ) | List time 2564.83 (23.00% of Nonbo) | Short_ene time 2336.37 (59.09% of Direc) | Other 1617.54 (40.91% of Direc) | Direct Ewald time 3953.90 (46.05% of Ewald) | Adjust Ewald time 33.95 ( 0.40% of Ewald) | Fill Bspline coeffs 636.71 (18.95% of Recip) | Fill charge grid 173.49 ( 5.16% of Recip) | Scalar sum 235.85 ( 7.02% of Recip) | Grad sum 260.69 ( 7.76% of Recip) | FFT back comm time 1687.08 (83.18% of FFT t) | Other 341.10 (16.82% of FFT t) | FFT time 2028.18 (60.36% of Recip) | Other 25.47 ( 0.76% of Recip) | Recip Ewald time 3360.38 (39.14% of Ewald) | Force Adjust 473.92 ( 5.52% of Ewald) | Virial junk 761.79 ( 8.87% of Ewald) | Start sycnronization 0.79 ( 0.01% of Ewald) | Other 1.29 ( 0.02% of Ewald) | Ewald time 8586.31 (76.99% of Nonbo) | Other 1.24 ( 0.01% of Nonbo) | Nonbond force 11152.58 (73.70% of Force) | Bond/Angle/Dihedral 52.37 ( 0.35% of Force) | FRC Collect time 3399.96 (22.47% of Force) | Other 527.84 ( 3.49% of Force) | Force time 15132.75 (65.89% of Runmd) | Shake time 176.03 ( 0.77% of Runmd) | Verlet update time 1665.02 ( 7.25% of Runmd) | Ekcmr time 2347.72 (10.22% of Runmd) | CRD distribute time 3213.34 (13.99% of Runmd) | Other 432.64 ( 1.88% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 1469.51 (57.17% of List ) | Other 1100.98 (42.83% of List ) | List time 2570.49 (23.03% of Nonbo) | Short_ene time 2491.66 (60.89% of Direc) | Other 1600.17 (39.11% of Direc) | Direct Ewald time 4091.83 (47.63% of Ewald) | Adjust Ewald time 33.83 ( 0.39% of Ewald) | Fill Bspline coeffs 627.54 (18.66% of Recip) | Fill charge grid 179.36 ( 5.33% of Recip) | Scalar sum 235.52 ( 7.00% of Recip) | Grad sum 261.11 ( 7.76% of Recip) | FFT back comm time 1690.04 (83.05% of FFT t) | Other 344.92 (16.95% of FFT t) | FFT time 2034.96 (60.51% of Recip) | Other 24.33 ( 0.72% of Recip) | Recip Ewald time 3362.82 (39.14% of Ewald) | Force Adjust 344.08 ( 4.01% of Ewald) | Virial junk 755.92 ( 8.80% of Ewald) | Start sycnronization 0.79 ( 0.01% of Ewald) | Other 1.25 ( 0.01% of Ewald) | Ewald time 8590.79 (76.96% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11162.66 (73.71% of Force) | Bond/Angle/Dihedral 51.68 ( 0.34% of Force) | FRC Collect time 3400.46 (22.45% of Force) | Other 528.83 ( 3.49% of Force) | Force time 15143.63 (65.94% of Runmd) | Shake time 174.12 ( 0.76% of Runmd) | Verlet update time 1612.46 ( 7.02% of Runmd) | Ekcmr time 2501.22 (10.89% of Runmd) | CRD distribute time 3097.24 (13.49% of Runmd) | Other 438.83 ( 1.91% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 1474.06 (57.67% of List ) | Other 1081.90 (42.33% of List ) | List time 2555.96 (22.92% of Nonbo) | Short_ene time 2403.78 (60.34% of Direc) | Other 1579.67 (39.66% of Direc) | Direct Ewald time 3983.45 (46.35% of Ewald) | Adjust Ewald time 33.72 ( 0.39% of Ewald) | Fill Bspline coeffs 617.90 (18.34% of Recip) | Fill charge grid 181.54 ( 5.39% of Recip) | Scalar sum 235.62 ( 6.99% of Recip) | Grad sum 259.82 ( 7.71% of Recip) | FFT back comm time 1691.48 (82.50% of FFT t) | Other 358.73 (17.50% of FFT t) | FFT time 2050.21 (60.84% of Recip) | Other 24.58 ( 0.73% of Recip) | Recip Ewald time 3369.67 (39.21% of Ewald) | Force Adjust 443.83 ( 5.16% of Ewald) | Virial junk 761.77 ( 8.86% of Ewald) | Start sycnronization 0.76 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8594.67 (77.07% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11152.04 (73.68% of Force) | Bond/Angle/Dihedral 51.91 ( 0.34% of Force) | FRC Collect time 3399.96 (22.46% of Force) | Other 530.93 ( 3.51% of Force) | Force time 15134.84 (65.90% of Runmd) | Shake time 173.29 ( 0.75% of Runmd) | Verlet update time 1587.86 ( 6.91% of Runmd) | Ekcmr time 2383.84 (10.38% of Runmd) | CRD distribute time 3334.11 (14.52% of Runmd) | Other 353.57 ( 1.54% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 1462.50 (56.87% of List ) | Other 1109.14 (43.13% of List ) | List time 2571.64 (23.07% of Nonbo) | Short_ene time 2352.48 (59.44% of Direc) | Other 1605.14 (40.56% of Direc) | Direct Ewald time 3957.61 (46.15% of Ewald) | Adjust Ewald time 33.71 ( 0.39% of Ewald) | Fill Bspline coeffs 621.63 (18.56% of Recip) | Fill charge grid 154.78 ( 4.62% of Recip) | Scalar sum 235.44 ( 7.03% of Recip) | Grad sum 224.27 ( 6.70% of Recip) | FFT back comm time 1677.26 (81.80% of FFT t) | Other 373.11 (18.20% of FFT t) | FFT time 2050.37 (61.22% of Recip) | Other 62.50 ( 1.87% of Recip) | Recip Ewald time 3348.99 (39.05% of Ewald) | Force Adjust 475.80 ( 5.55% of Ewald) | Virial junk 757.92 ( 8.84% of Ewald) | Start sycnronization 0.72 ( 0.01% of Ewald) | Other 1.24 ( 0.01% of Ewald) | Ewald time 8576.28 (76.92% of Nonbo) | Other 1.20 ( 0.01% of Nonbo) | Nonbond force 11149.32 (73.63% of Force) | Bond/Angle/Dihedral 52.42 ( 0.35% of Force) | FRC Collect time 3402.48 (22.47% of Force) | Other 537.22 ( 3.55% of Force) | Force time 15141.44 (65.93% of Runmd) | Shake time 175.29 ( 0.76% of Runmd) | Verlet update time 1436.04 ( 6.25% of Runmd) | Ekcmr time 3554.01 (15.47% of Runmd) | CRD distribute time 2158.12 ( 9.40% of Runmd) | Other 502.60 ( 2.19% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 1464.78 (57.65% of List ) | Other 1075.82 (42.35% of List ) | List time 2540.59 (22.84% of Nonbo) | Short_ene time 2487.86 (61.71% of Direc) | Other 1543.88 (38.29% of Direc) | Direct Ewald time 4031.74 (46.98% of Ewald) | Adjust Ewald time 33.50 ( 0.39% of Ewald) | Fill Bspline coeffs 623.03 (18.56% of Recip) | Fill charge grid 149.32 ( 4.45% of Recip) | Scalar sum 235.33 ( 7.01% of Recip) | Grad sum 222.30 ( 6.62% of Recip) | FFT back comm time 1680.29 (81.46% of FFT t) | Other 382.40 (18.54% of FFT t) | FFT time 2062.68 (61.45% of Recip) | Other 63.99 ( 1.91% of Recip) | Recip Ewald time 3356.64 (39.11% of Ewald) | Force Adjust 393.59 ( 4.59% of Ewald) | Virial junk 765.06 ( 8.91% of Ewald) | Start sycnronization 0.67 ( 0.01% of Ewald) | Other 1.20 ( 0.01% of Ewald) | Ewald time 8582.68 (77.15% of Nonbo) | Other 1.06 ( 0.01% of Nonbo) | Nonbond force 11124.52 (73.52% of Force) | Bond/Angle/Dihedral 52.44 ( 0.35% of Force) | FRC Collect time 3402.79 (22.49% of Force) | Other 552.17 ( 3.65% of Force) | Force time 15131.92 (65.88% of Runmd) | Shake time 173.07 ( 0.75% of Runmd) | Verlet update time 1415.87 ( 6.16% of Runmd) | Ekcmr time 3477.46 (15.14% of Runmd) | CRD distribute time 2300.75 (10.02% of Runmd) | Other 468.43 ( 2.04% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 1468.42 (57.04% of List ) | Other 1105.73 (42.96% of List ) | List time 2574.15 (23.05% of Nonbo) | Short_ene time 2390.67 (60.15% of Direc) | Other 1583.57 (39.85% of Direc) | Direct Ewald time 3974.24 (46.26% of Ewald) | Adjust Ewald time 34.45 ( 0.40% of Ewald) | Fill Bspline coeffs 582.16 (17.31% of Recip) | Fill charge grid 111.15 ( 3.30% of Recip) | Scalar sum 118.94 ( 3.54% of Recip) | Grad sum 170.44 ( 5.07% of Recip) | FFT back comm time 1681.14 (75.65% of FFT t) | Other 541.17 (24.35% of FFT t) | FFT time 2222.31 (66.08% of Recip) | Other 158.23 ( 4.70% of Recip) | Recip Ewald time 3363.21 (39.15% of Ewald) | Force Adjust 463.26 ( 5.39% of Ewald) | Virial junk 752.63 ( 8.76% of Ewald) | Start sycnronization 0.80 ( 0.01% of Ewald) | Other 1.30 ( 0.02% of Ewald) | Ewald time 8590.19 (76.93% of Nonbo) | Other 1.18 ( 0.01% of Nonbo) | Nonbond force 11165.72 (73.75% of Force) | Bond/Angle/Dihedral 52.43 ( 0.35% of Force) | FRC Collect time 3400.84 (22.46% of Force) | Other 521.44 ( 3.44% of Force) | Force time 15140.42 (65.92% of Runmd) | Shake time 175.95 ( 0.77% of Runmd) | Verlet update time 1515.97 ( 6.60% of Runmd) | Ekcmr time 3168.23 (13.79% of Runmd) | CRD distribute time 2480.45 (10.80% of Runmd) | Other 486.47 ( 2.12% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 1460.33 (57.43% of List ) | Other 1082.27 (42.57% of List ) | List time 2542.60 (22.86% of Nonbo) | Short_ene time 2349.13 (59.27% of Direc) | Other 1614.31 (40.73% of Direc) | Direct Ewald time 3963.44 (46.19% of Ewald) | Adjust Ewald time 34.12 ( 0.40% of Ewald) | Fill Bspline coeffs 571.26 (17.02% of Recip) | Fill charge grid 110.53 ( 3.29% of Recip) | Scalar sum 118.91 ( 3.54% of Recip) | Grad sum 171.56 ( 5.11% of Recip) | FFT back comm time 1681.73 (75.51% of FFT t) | Other 545.39 (24.49% of FFT t) | FFT time 2227.12 (66.37% of Recip) | Other 156.36 ( 4.66% of Recip) | Recip Ewald time 3355.74 (39.11% of Ewald) | Force Adjust 468.48 ( 5.46% of Ewald) | Virial junk 756.33 ( 8.81% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 1.21 ( 0.01% of Ewald) | Ewald time 8580.25 (77.13% of Nonbo) | Other 1.12 ( 0.01% of Nonbo) | Nonbond force 11124.15 (73.52% of Force) | Bond/Angle/Dihedral 52.82 ( 0.35% of Force) | FRC Collect time 3400.41 (22.47% of Force) | Other 553.82 ( 3.66% of Force) | Force time 15131.20 (65.88% of Runmd) | Shake time 175.39 ( 0.76% of Runmd) | Verlet update time 1593.78 ( 6.94% of Runmd) | Ekcmr time 2788.07 (12.14% of Runmd) | CRD distribute time 2830.18 (12.32% of Runmd) | Other 448.88 ( 1.95% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 1466.59 (57.19% of List ) | Other 1097.76 (42.81% of List ) | List time 2564.36 (22.98% of Nonbo) | Short_ene time 2393.35 (59.93% of Direc) | Other 1599.91 (40.07% of Direc) | Direct Ewald time 3993.26 (46.47% of Ewald) | Adjust Ewald time 33.72 ( 0.39% of Ewald) | Fill Bspline coeffs 567.37 (16.86% of Recip) | Fill charge grid 118.83 ( 3.53% of Recip) | Scalar sum 118.70 ( 3.53% of Recip) | Grad sum 174.48 ( 5.18% of Recip) | FFT back comm time 1687.07 (75.52% of FFT t) | Other 546.88 (24.48% of FFT t) | FFT time 2233.95 (66.37% of Recip) | Other 152.54 ( 4.53% of Recip) | Recip Ewald time 3365.85 (39.17% of Ewald) | Force Adjust 441.79 ( 5.14% of Ewald) | Virial junk 756.74 ( 8.81% of Ewald) | Start sycnronization 0.79 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8593.70 (77.01% of Nonbo) | Other 1.28 ( 0.01% of Nonbo) | Nonbond force 11159.54 (73.70% of Force) | Bond/Angle/Dihedral 51.72 ( 0.34% of Force) | FRC Collect time 3401.28 (22.46% of Force) | Other 529.43 ( 3.50% of Force) | Force time 15141.96 (65.93% of Runmd) | Shake time 174.57 ( 0.76% of Runmd) | Verlet update time 1471.05 ( 6.40% of Runmd) | Ekcmr time 3287.12 (14.31% of Runmd) | CRD distribute time 2406.92 (10.48% of Runmd) | Other 485.89 ( 2.12% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 1464.51 (57.18% of List ) | Other 1096.56 (42.82% of List ) | List time 2561.07 (22.99% of Nonbo) | Short_ene time 2356.53 (59.61% of Direc) | Other 1596.50 (40.39% of Direc) | Direct Ewald time 3953.04 (46.09% of Ewald) | Adjust Ewald time 34.51 ( 0.40% of Ewald) | Fill Bspline coeffs 572.42 (17.08% of Recip) | Fill charge grid 111.75 ( 3.33% of Recip) | Scalar sum 118.58 ( 3.54% of Recip) | Grad sum 171.67 ( 5.12% of Recip) | FFT back comm time 1691.69 (76.10% of FFT t) | Other 531.27 (23.90% of FFT t) | FFT time 2222.97 (66.34% of Recip) | Other 153.50 ( 4.58% of Recip) | Recip Ewald time 3350.89 (39.07% of Ewald) | Force Adjust 471.62 ( 5.50% of Ewald) | Virial junk 764.96 ( 8.92% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.20 ( 0.01% of Ewald) | Ewald time 8577.18 (77.00% of Nonbo) | Other 1.14 ( 0.01% of Nonbo) | Nonbond force 11139.58 (73.61% of Force) | Bond/Angle/Dihedral 52.46 ( 0.35% of Force) | FRC Collect time 3401.12 (22.48% of Force) | Other 539.23 ( 3.56% of Force) | Force time 15132.39 (65.89% of Runmd) | Shake time 174.74 ( 0.76% of Runmd) | Verlet update time 1593.41 ( 6.94% of Runmd) | Ekcmr time 2530.39 (11.02% of Runmd) | CRD distribute time 3141.71 (13.68% of Runmd) | Other 394.85 ( 1.72% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 1470.44 (57.15% of List ) | Other 1102.51 (42.85% of List ) | List time 2572.95 (23.03% of Nonbo) | Short_ene time 2340.47 (58.96% of Direc) | Other 1628.84 (41.04% of Direc) | Direct Ewald time 3969.31 (46.17% of Ewald) | Adjust Ewald time 30.70 ( 0.36% of Ewald) | Fill Bspline coeffs 561.46 (16.66% of Recip) | Fill charge grid 119.16 ( 3.54% of Recip) | Scalar sum 118.58 ( 3.52% of Recip) | Grad sum 174.00 ( 5.16% of Recip) | FFT back comm time 1696.15 (75.46% of FFT t) | Other 551.59 (24.54% of FFT t) | FFT time 2247.74 (66.70% of Recip) | Other 149.12 ( 4.42% of Recip) | Recip Ewald time 3370.06 (39.20% of Ewald) | Force Adjust 471.44 ( 5.48% of Ewald) | Virial junk 753.52 ( 8.76% of Ewald) | Start sycnronization 0.83 ( 0.01% of Ewald) | Other 1.31 ( 0.02% of Ewald) | Ewald time 8597.46 (76.96% of Nonbo) | Other 1.19 ( 0.01% of Nonbo) | Nonbond force 11171.81 (73.79% of Force) | Bond/Angle/Dihedral 51.73 ( 0.34% of Force) | FRC Collect time 3399.42 (22.45% of Force) | Other 517.78 ( 3.42% of Force) | Force time 15140.73 (65.92% of Runmd) | Shake time 177.29 ( 0.77% of Runmd) | Verlet update time 1565.43 ( 6.82% of Runmd) | Ekcmr time 2608.81 (11.36% of Runmd) | CRD distribute time 3027.85 (13.18% of Runmd) | Other 447.40 ( 1.95% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 1467.69 (57.09% of List ) | Other 1103.34 (42.91% of List ) | List time 2571.03 (23.03% of Nonbo) | Short_ene time 2374.42 (59.99% of Direc) | Other 1583.66 (40.01% of Direc) | Direct Ewald time 3958.08 (46.08% of Ewald) | Adjust Ewald time 30.52 ( 0.36% of Ewald) | Fill Bspline coeffs 568.71 (16.90% of Recip) | Fill charge grid 115.97 ( 3.45% of Recip) | Scalar sum 118.37 ( 3.52% of Recip) | Grad sum 172.18 ( 5.12% of Recip) | FFT back comm time 1696.05 (75.74% of FFT t) | Other 543.28 (24.26% of FFT t) | FFT time 2239.33 (66.54% of Recip) | Other 150.94 ( 4.48% of Recip) | Recip Ewald time 3365.51 (39.18% of Ewald) | Force Adjust 475.37 ( 5.53% of Ewald) | Virial junk 758.23 ( 8.83% of Ewald) | Start sycnronization 0.71 ( 0.01% of Ewald) | Other 1.21 ( 0.01% of Ewald) | Ewald time 8589.88 (76.95% of Nonbo) | Other 1.20 ( 0.01% of Nonbo) | Nonbond force 11162.30 (73.77% of Force) | Bond/Angle/Dihedral 53.26 ( 0.35% of Force) | FRC Collect time 3398.87 (22.46% of Force) | Other 517.37 ( 3.42% of Force) | Force time 15131.80 (65.88% of Runmd) | Shake time 177.46 ( 0.77% of Runmd) | Verlet update time 1643.94 ( 7.16% of Runmd) | Ekcmr time 2316.51 (10.09% of Runmd) | CRD distribute time 3289.48 (14.32% of Runmd) | Other 408.31 ( 1.78% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 32 | Build the list 1458.24 (56.70% of List ) | Other 1113.60 (43.30% of List ) | List time 2571.85 (23.08% of Nonbo) | Short_ene time 2351.76 (59.51% of Direc) | Other 1600.41 (40.49% of Direc) | Direct Ewald time 3952.17 (46.12% of Ewald) | Adjust Ewald time 30.54 ( 0.36% of Ewald) | Fill Bspline coeffs 570.40 (17.07% of Recip) | Fill charge grid 99.57 ( 2.98% of Recip) | Scalar sum 118.89 ( 3.56% of Recip) | Grad sum 175.73 ( 5.26% of Recip) | FFT back comm time 1675.26 (75.52% of FFT t) | Other 543.09 (24.48% of FFT t) | FFT time 2218.35 (66.37% of Recip) | Other 159.51 ( 4.77% of Recip) | Recip Ewald time 3342.45 (39.00% of Ewald) | Force Adjust 486.73 ( 5.68% of Ewald) | Virial junk 756.14 ( 8.82% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 1.17 ( 0.01% of Ewald) | Ewald time 8570.13 (76.91% of Nonbo) | Other 1.02 ( 0.01% of Nonbo) | Nonbond force 11143.17 (75.56% of Force) | Bond/Angle/Dihedral 51.85 ( 0.35% of Force) | FRC Collect time 3002.89 (20.36% of Force) | Other 549.42 ( 3.73% of Force) | Force time 14747.33 (64.21% of Runmd) | Shake time 177.49 ( 0.77% of Runmd) | Verlet update time 1762.69 ( 7.67% of Runmd) | Ekcmr time 3232.68 (14.08% of Runmd) | CRD distribute time 2572.14 (11.20% of Runmd) | Other 475.18 ( 2.07% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 33 | Build the list 1464.05 (57.24% of List ) | Other 1093.80 (42.76% of List ) | List time 2557.85 (22.95% of Nonbo) | Short_ene time 2347.64 (59.29% of Direc) | Other 1612.00 (40.71% of Direc) | Direct Ewald time 3959.65 (46.11% of Ewald) | Adjust Ewald time 30.27 ( 0.35% of Ewald) | Fill Bspline coeffs 562.36 (16.73% of Recip) | Fill charge grid 109.72 ( 3.26% of Recip) | Scalar sum 118.94 ( 3.54% of Recip) | Grad sum 173.44 ( 5.16% of Recip) | FFT back comm time 1675.16 (74.95% of FFT t) | Other 559.84 (25.05% of FFT t) | FFT time 2235.01 (66.49% of Recip) | Other 161.99 ( 4.82% of Recip) | Recip Ewald time 3361.45 (39.15% of Ewald) | Force Adjust 471.87 ( 5.50% of Ewald) | Virial junk 761.48 ( 8.87% of Ewald) | Start sycnronization 0.72 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8586.96 (77.04% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11146.22 (75.62% of Force) | Bond/Angle/Dihedral 52.44 ( 0.36% of Force) | FRC Collect time 3003.34 (20.38% of Force) | Other 537.65 ( 3.65% of Force) | Force time 14739.65 (64.18% of Runmd) | Shake time 174.83 ( 0.76% of Runmd) | Verlet update time 2043.10 ( 8.90% of Runmd) | Ekcmr time 2316.80 (10.09% of Runmd) | CRD distribute time 3104.07 (13.52% of Runmd) | Other 589.05 ( 2.56% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 34 | Build the list 1469.49 (57.08% of List ) | Other 1104.91 (42.92% of List ) | List time 2574.40 (23.04% of Nonbo) | Short_ene time 2341.17 (59.08% of Direc) | Other 1621.60 (40.92% of Direc) | Direct Ewald time 3962.78 (46.10% of Ewald) | Adjust Ewald time 30.38 ( 0.35% of Ewald) | Fill Bspline coeffs 569.51 (16.91% of Recip) | Fill charge grid 111.71 ( 3.32% of Recip) | Scalar sum 118.83 ( 3.53% of Recip) | Grad sum 177.00 ( 5.26% of Recip) | FFT back comm time 1677.72 (75.10% of FFT t) | Other 556.21 (24.90% of FFT t) | FFT time 2233.92 (66.32% of Recip) | Other 157.21 ( 4.67% of Recip) | Recip Ewald time 3368.18 (39.18% of Ewald) | Force Adjust 479.16 ( 5.57% of Ewald) | Virial junk 752.97 ( 8.76% of Ewald) | Start sycnronization 0.80 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8595.83 (76.94% of Nonbo) | Other 1.22 ( 0.01% of Nonbo) | Nonbond force 11171.65 (75.75% of Force) | Bond/Angle/Dihedral 52.08 ( 0.35% of Force) | FRC Collect time 3002.45 (20.36% of Force) | Other 521.31 ( 3.53% of Force) | Force time 14747.48 (64.21% of Runmd) | Shake time 176.45 ( 0.77% of Runmd) | Verlet update time 1878.04 ( 8.18% of Runmd) | Ekcmr time 2758.88 (12.01% of Runmd) | CRD distribute time 2856.83 (12.44% of Runmd) | Other 549.82 ( 2.39% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 35 | Build the list 1474.44 (57.83% of List ) | Other 1075.20 (42.17% of List ) | List time 2549.65 (22.84% of Nonbo) | Short_ene time 2347.28 (59.11% of Direc) | Other 1623.75 (40.89% of Direc) | Direct Ewald time 3971.03 (46.10% of Ewald) | Adjust Ewald time 30.35 ( 0.35% of Ewald) | Fill Bspline coeffs 574.97 (16.97% of Recip) | Fill charge grid 114.08 ( 3.37% of Recip) | Scalar sum 118.62 ( 3.50% of Recip) | Grad sum 175.77 ( 5.19% of Recip) | FFT back comm time 1682.61 (74.80% of FFT t) | Other 567.00 (25.20% of FFT t) | FFT time 2249.61 (66.38% of Recip) | Other 155.71 ( 4.59% of Recip) | Recip Ewald time 3388.76 (39.34% of Ewald) | Force Adjust 468.79 ( 5.44% of Ewald) | Virial junk 752.91 ( 8.74% of Ewald) | Start sycnronization 0.85 ( 0.01% of Ewald) | Other 1.32 ( 0.02% of Ewald) | Ewald time 8614.29 (77.15% of Nonbo) | Other 1.25 ( 0.01% of Nonbo) | Nonbond force 11165.40 (75.75% of Force) | Bond/Angle/Dihedral 52.65 ( 0.36% of Force) | FRC Collect time 3002.19 (20.37% of Force) | Other 519.84 ( 3.53% of Force) | Force time 14740.08 (64.18% of Runmd) | Shake time 176.24 ( 0.77% of Runmd) | Verlet update time 2100.18 ( 9.14% of Runmd) | Ekcmr time 2148.71 ( 9.36% of Runmd) | CRD distribute time 3254.29 (14.17% of Runmd) | Other 548.00 ( 2.39% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 36 | Build the list 1478.91 (57.96% of List ) | Other 1072.66 (42.04% of List ) | List time 2551.57 (22.85% of Nonbo) | Short_ene time 2357.59 (59.56% of Direc) | Other 1600.63 (40.44% of Direc) | Direct Ewald time 3958.22 (45.94% of Ewald) | Adjust Ewald time 30.33 ( 0.35% of Ewald) | Fill Bspline coeffs 567.34 (16.75% of Recip) | Fill charge grid 114.55 ( 3.38% of Recip) | Scalar sum 118.42 ( 3.50% of Recip) | Grad sum 175.67 ( 5.19% of Recip) | FFT back comm time 1692.34 (74.85% of FFT t) | Other 568.50 (25.15% of FFT t) | FFT time 2260.85 (66.74% of Recip) | Other 150.74 ( 4.45% of Recip) | Recip Ewald time 3387.57 (39.32% of Ewald) | Force Adjust 481.08 ( 5.58% of Ewald) | Virial junk 755.79 ( 8.77% of Ewald) | Start sycnronization 0.85 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8615.40 (77.14% of Nonbo) | Other 1.11 ( 0.01% of Nonbo) | Nonbond force 11168.28 (75.72% of Force) | Bond/Angle/Dihedral 51.81 ( 0.35% of Force) | FRC Collect time 3004.91 (20.37% of Force) | Other 525.26 ( 3.56% of Force) | Force time 14750.27 (64.22% of Runmd) | Shake time 173.55 ( 0.76% of Runmd) | Verlet update time 1979.95 ( 8.62% of Runmd) | Ekcmr time 2393.10 (10.42% of Runmd) | CRD distribute time 3059.11 (13.32% of Runmd) | Other 611.53 ( 2.66% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 37 | Build the list 1450.73 (56.47% of List ) | Other 1118.31 (43.53% of List ) | List time 2569.04 (23.08% of Nonbo) | Short_ene time 2369.38 (59.84% of Direc) | Other 1590.37 (40.16% of Direc) | Direct Ewald time 3959.74 (46.26% of Ewald) | Adjust Ewald time 30.44 ( 0.36% of Ewald) | Fill Bspline coeffs 571.93 (17.15% of Recip) | Fill charge grid 98.54 ( 2.95% of Recip) | Scalar sum 117.42 ( 3.52% of Recip) | Grad sum 176.44 ( 5.29% of Recip) | FFT back comm time 1693.25 (76.23% of FFT t) | Other 528.12 (23.77% of FFT t) | FFT time 2221.37 (66.61% of Recip) | Other 149.37 ( 4.48% of Recip) | Recip Ewald time 3335.06 (38.96% of Ewald) | Force Adjust 471.75 ( 5.51% of Ewald) | Virial junk 761.00 ( 8.89% of Ewald) | Start sycnronization 0.61 ( 0.01% of Ewald) | Other 1.13 ( 0.01% of Ewald) | Ewald time 8559.99 (76.91% of Nonbo) | Other 1.13 ( 0.01% of Nonbo) | Nonbond force 11130.33 (75.49% of Force) | Bond/Angle/Dihedral 53.47 ( 0.36% of Force) | FRC Collect time 3005.01 (20.38% of Force) | Other 554.49 ( 3.76% of Force) | Force time 14743.31 (64.19% of Runmd) | Shake time 173.96 ( 0.76% of Runmd) | Verlet update time 2161.53 ( 9.41% of Runmd) | Ekcmr time 1887.70 ( 8.22% of Runmd) | CRD distribute time 3458.00 (15.06% of Runmd) | Other 543.00 ( 2.36% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 38 | Build the list 1476.07 (57.37% of List ) | Other 1096.82 (42.63% of List ) | List time 2572.89 (23.02% of Nonbo) | Short_ene time 2370.19 (60.35% of Direc) | Other 1557.01 (39.65% of Direc) | Direct Ewald time 3927.20 (45.64% of Ewald) | Adjust Ewald time 30.63 ( 0.36% of Ewald) | Fill Bspline coeffs 569.67 (16.86% of Recip) | Fill charge grid 112.37 ( 3.33% of Recip) | Scalar sum 118.27 ( 3.50% of Recip) | Grad sum 174.96 ( 5.18% of Recip) | FFT back comm time 1694.70 (75.26% of FFT t) | Other 557.04 (24.74% of FFT t) | FFT time 2251.75 (66.66% of Recip) | Other 151.11 ( 4.47% of Recip) | Recip Ewald time 3378.12 (39.26% of Ewald) | Force Adjust 512.44 ( 5.96% of Ewald) | Virial junk 753.90 ( 8.76% of Ewald) | Start sycnronization 0.79 ( 0.01% of Ewald) | Other 1.24 ( 0.01% of Ewald) | Ewald time 8604.59 (76.97% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11178.84 (75.80% of Force) | Bond/Angle/Dihedral 52.08 ( 0.35% of Force) | FRC Collect time 3001.04 (20.35% of Force) | Other 515.57 ( 3.50% of Force) | Force time 14747.53 (64.21% of Runmd) | Shake time 176.88 ( 0.77% of Runmd) | Verlet update time 2067.40 ( 9.00% of Runmd) | Ekcmr time 2096.75 ( 9.13% of Runmd) | CRD distribute time 3256.74 (14.18% of Runmd) | Other 622.21 ( 2.71% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 39 | Build the list 1466.20 (57.30% of List ) | Other 1092.62 (42.70% of List ) | List time 2558.82 (22.96% of Nonbo) | Short_ene time 2375.30 (59.49% of Direc) | Other 1617.67 (40.51% of Direc) | Direct Ewald time 3992.97 (46.52% of Ewald) | Adjust Ewald time 30.01 ( 0.35% of Ewald) | Fill Bspline coeffs 553.66 (16.48% of Recip) | Fill charge grid 112.75 ( 3.36% of Recip) | Scalar sum 118.15 ( 3.52% of Recip) | Grad sum 176.66 ( 5.26% of Recip) | FFT back comm time 1697.89 (75.44% of FFT t) | Other 552.85 (24.56% of FFT t) | FFT time 2250.74 (66.99% of Recip) | Other 147.98 ( 4.40% of Recip) | Recip Ewald time 3359.93 (39.14% of Ewald) | Force Adjust 439.98 ( 5.13% of Ewald) | Virial junk 759.13 ( 8.84% of Ewald) | Start sycnronization 0.71 ( 0.01% of Ewald) | Other 1.20 ( 0.01% of Ewald) | Ewald time 8584.19 (77.03% of Nonbo) | Other 1.19 ( 0.01% of Nonbo) | Nonbond force 11144.39 (75.60% of Force) | Bond/Angle/Dihedral 53.11 ( 0.36% of Force) | FRC Collect time 3000.84 (20.36% of Force) | Other 541.95 ( 3.68% of Force) | Force time 14740.29 (64.18% of Runmd) | Shake time 177.67 ( 0.77% of Runmd) | Verlet update time 2182.00 ( 9.50% of Runmd) | Ekcmr time 1835.59 ( 7.99% of Runmd) | CRD distribute time 3523.32 (15.34% of Runmd) | Other 508.64 ( 2.21% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 40 | Build the list 1470.06 (57.65% of List ) | Other 1080.05 (42.35% of List ) | List time 2550.12 (22.88% of Nonbo) | Short_ene time 2413.37 (60.64% of Direc) | Other 1566.46 (39.36% of Direc) | Direct Ewald time 3979.84 (46.31% of Ewald) | Adjust Ewald time 30.38 ( 0.35% of Ewald) | Fill Bspline coeffs 568.46 (16.88% of Recip) | Fill charge grid 103.94 ( 3.09% of Recip) | Scalar sum 118.84 ( 3.53% of Recip) | Grad sum 173.25 ( 5.14% of Recip) | FFT back comm time 1692.57 (75.26% of FFT t) | Other 556.48 (24.74% of FFT t) | FFT time 2249.05 (66.77% of Recip) | Other 154.79 ( 4.60% of Recip) | Recip Ewald time 3368.33 (39.20% of Ewald) | Force Adjust 452.64 ( 5.27% of Ewald) | Virial junk 759.93 ( 8.84% of Ewald) | Start sycnronization 0.73 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8593.33 (77.11% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11144.85 (75.57% of Force) | Bond/Angle/Dihedral 53.15 ( 0.36% of Force) | FRC Collect time 3005.64 (20.38% of Force) | Other 543.94 ( 3.69% of Force) | Force time 14747.59 (64.21% of Runmd) | Shake time 175.73 ( 0.77% of Runmd) | Verlet update time 1679.80 ( 7.31% of Runmd) | Ekcmr time 4132.38 (17.99% of Runmd) | CRD distribute time 1912.54 ( 8.33% of Runmd) | Other 319.47 ( 1.39% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 41 | Build the list 1453.54 (56.88% of List ) | Other 1101.79 (43.12% of List ) | List time 2555.33 (22.96% of Nonbo) | Short_ene time 2347.97 (59.61% of Direc) | Other 1591.14 (40.39% of Direc) | Direct Ewald time 3939.10 (45.94% of Ewald) | Adjust Ewald time 30.79 ( 0.36% of Ewald) | Fill Bspline coeffs 578.33 (17.26% of Recip) | Fill charge grid 99.84 ( 2.98% of Recip) | Scalar sum 118.92 ( 3.55% of Recip) | Grad sum 175.97 ( 5.25% of Recip) | FFT back comm time 1696.00 (76.10% of FFT t) | Other 532.60 (23.90% of FFT t) | FFT time 2228.60 (66.50% of Recip) | Other 149.84 ( 4.47% of Recip) | Recip Ewald time 3351.50 (39.09% of Ewald) | Force Adjust 488.03 ( 5.69% of Ewald) | Virial junk 762.17 ( 8.89% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 1.19 ( 0.01% of Ewald) | Ewald time 8573.73 (77.03% of Nonbo) | Other 1.15 ( 0.01% of Nonbo) | Nonbond force 11130.40 (75.52% of Force) | Bond/Angle/Dihedral 52.99 ( 0.36% of Force) | FRC Collect time 3006.28 (20.40% of Force) | Other 549.52 ( 3.73% of Force) | Force time 14739.19 (64.17% of Runmd) | Shake time 175.87 ( 0.77% of Runmd) | Verlet update time 1784.91 ( 7.77% of Runmd) | Ekcmr time 3476.08 (15.13% of Runmd) | CRD distribute time 2389.87 (10.41% of Runmd) | Other 401.58 ( 1.75% of Runmd) | Runmd Time 22967.49 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 42 | Build the list 1467.84 (57.21% of List ) | Other 1098.06 (42.79% of List ) | List time 2565.90 (22.98% of Nonbo) | Short_ene time 2360.27 (59.57% of Direc) | Other 1601.74 (40.43% of Direc) | Direct Ewald time 3962.01 (46.09% of Ewald) | Adjust Ewald time 30.57 ( 0.36% of Ewald) | Fill Bspline coeffs 553.93 (16.43% of Recip) | Fill charge grid 110.44 ( 3.28% of Recip) | Scalar sum 118.48 ( 3.51% of Recip) | Grad sum 175.17 ( 5.20% of Recip) | FFT back comm time 1698.40 (75.03% of FFT t) | Other 565.26 (24.97% of FFT t) | FFT time 2263.66 (67.14% of Recip) | Other 149.96 ( 4.45% of Recip) | Recip Ewald time 3371.64 (39.22% of Ewald) | Force Adjust 473.13 ( 5.50% of Ewald) | Virial junk 756.51 ( 8.80% of Ewald) | Start sycnronization 0.74 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8596.11 (77.00% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11163.36 (75.69% of Force) | Bond/Angle/Dihedral 53.03 ( 0.36% of Force) | FRC Collect time 3006.14 (20.38% of Force) | Other 526.78 ( 3.57% of Force) | Force time 14749.31 (64.22% of Runmd) | Shake time 175.14 ( 0.76% of Runmd) | Verlet update time 1880.10 ( 8.19% of Runmd) | Ekcmr time 2982.49 (12.99% of Runmd) | CRD distribute time 2735.59 (11.91% of Runmd) | Other 444.87 ( 1.94% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 43 | Build the list 1469.59 (57.12% of List ) | Other 1103.29 (42.88% of List ) | List time 2572.87 (23.06% of Nonbo) | Short_ene time 2525.33 (61.48% of Direc) | Other 1581.94 (38.52% of Direc) | Direct Ewald time 4107.27 (47.84% of Ewald) | Adjust Ewald time 29.61 ( 0.34% of Ewald) | Fill Bspline coeffs 569.12 (16.93% of Recip) | Fill charge grid 110.17 ( 3.28% of Recip) | Scalar sum 118.67 ( 3.53% of Recip) | Grad sum 177.62 ( 5.28% of Recip) | FFT back comm time 1701.45 (75.93% of FFT t) | Other 539.51 (24.07% of FFT t) | FFT time 2240.96 (66.65% of Recip) | Other 145.97 ( 4.34% of Recip) | Recip Ewald time 3362.52 (39.17% of Ewald) | Force Adjust 326.03 ( 3.80% of Ewald) | Virial junk 756.74 ( 8.82% of Ewald) | Start sycnronization 0.83 ( 0.01% of Ewald) | Other 1.30 ( 0.02% of Ewald) | Ewald time 8584.57 (76.93% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11158.86 (75.70% of Force) | Bond/Angle/Dihedral 53.50 ( 0.36% of Force) | FRC Collect time 3005.92 (20.39% of Force) | Other 522.23 ( 3.54% of Force) | Force time 14740.51 (64.18% of Runmd) | Shake time 175.89 ( 0.77% of Runmd) | Verlet update time 1955.26 ( 8.51% of Runmd) | Ekcmr time 2545.84 (11.08% of Runmd) | CRD distribute time 2981.30 (12.98% of Runmd) | Other 568.70 ( 2.48% of Runmd) | Runmd Time 22967.51 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 44 | Build the list 1468.02 (56.75% of List ) | Other 1118.75 (43.25% of List ) | List time 2586.76 (23.14% of Nonbo) | Short_ene time 2348.94 (59.29% of Direc) | Other 1612.90 (40.71% of Direc) | Direct Ewald time 3961.84 (46.11% of Ewald) | Adjust Ewald time 30.64 ( 0.36% of Ewald) | Fill Bspline coeffs 571.71 (16.98% of Recip) | Fill charge grid 111.36 ( 3.31% of Recip) | Scalar sum 118.53 ( 3.52% of Recip) | Grad sum 177.65 ( 5.28% of Recip) | FFT back comm time 1705.67 (76.03% of FFT t) | Other 537.75 (23.97% of FFT t) | FFT time 2243.42 (66.64% of Recip) | Other 143.83 ( 4.27% of Recip) | Recip Ewald time 3366.49 (39.18% of Ewald) | Force Adjust 475.60 ( 5.54% of Ewald) | Virial junk 754.97 ( 8.79% of Ewald) | Start sycnronization 0.80 ( 0.01% of Ewald) | Other 1.24 ( 0.01% of Ewald) | Ewald time 8591.88 (76.85% of Nonbo) | Other 1.22 ( 0.01% of Nonbo) | Nonbond force 11180.07 (75.79% of Force) | Bond/Angle/Dihedral 52.18 ( 0.35% of Force) | FRC Collect time 3006.79 (20.38% of Force) | Other 511.67 ( 3.47% of Force) | Force time 14750.71 (64.22% of Runmd) | Shake time 176.18 ( 0.77% of Runmd) | Verlet update time 1938.95 ( 8.44% of Runmd) | Ekcmr time 2692.88 (11.72% of Runmd) | CRD distribute time 2847.00 (12.40% of Runmd) | Other 561.78 ( 2.45% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 45 | Build the list 1459.09 (56.76% of List ) | Other 1111.57 (43.24% of List ) | List time 2570.66 (23.06% of Nonbo) | Short_ene time 2387.36 (59.83% of Direc) | Other 1603.02 (40.17% of Direc) | Direct Ewald time 3990.37 (46.54% of Ewald) | Adjust Ewald time 30.54 ( 0.36% of Ewald) | Fill Bspline coeffs 569.78 (17.00% of Recip) | Fill charge grid 103.04 ( 3.07% of Recip) | Scalar sum 118.31 ( 3.53% of Recip) | Grad sum 174.51 ( 5.21% of Recip) | FFT back comm time 1706.78 (76.18% of FFT t) | Other 533.55 (23.82% of FFT t) | FFT time 2240.34 (66.84% of Recip) | Other 146.05 ( 4.36% of Recip) | Recip Ewald time 3352.03 (39.09% of Ewald) | Force Adjust 434.59 ( 5.07% of Ewald) | Virial junk 764.82 ( 8.92% of Ewald) | Start sycnronization 0.68 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8574.47 (76.93% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11146.48 (75.61% of Force) | Bond/Angle/Dihedral 53.48 ( 0.36% of Force) | FRC Collect time 3006.72 (20.40% of Force) | Other 535.46 ( 3.63% of Force) | Force time 14742.13 (64.19% of Runmd) | Shake time 175.28 ( 0.76% of Runmd) | Verlet update time 2093.97 ( 9.12% of Runmd) | Ekcmr time 2206.02 ( 9.60% of Runmd) | CRD distribute time 3273.74 (14.25% of Runmd) | Other 476.36 ( 2.07% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 46 | Build the list 1477.24 (57.47% of List ) | Other 1093.32 (42.53% of List ) | List time 2570.56 (22.98% of Nonbo) | Short_ene time 2565.22 (61.99% of Direc) | Other 1572.58 (38.01% of Direc) | Direct Ewald time 4137.80 (48.05% of Ewald) | Adjust Ewald time 29.52 ( 0.34% of Ewald) | Fill Bspline coeffs 562.52 (16.61% of Recip) | Fill charge grid 115.33 ( 3.40% of Recip) | Scalar sum 118.19 ( 3.49% of Recip) | Grad sum 175.79 ( 5.19% of Recip) | FFT back comm time 1709.94 (75.26% of FFT t) | Other 562.10 (24.74% of FFT t) | FFT time 2272.04 (67.07% of Recip) | Other 143.55 ( 4.24% of Recip) | Recip Ewald time 3387.43 (39.34% of Ewald) | Force Adjust 296.70 ( 3.45% of Ewald) | Virial junk 757.80 ( 8.80% of Ewald) | Start sycnronization 0.89 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8611.68 (77.00% of Nonbo) | Other 1.26 ( 0.01% of Nonbo) | Nonbond force 11183.72 (75.82% of Force) | Bond/Angle/Dihedral 52.45 ( 0.36% of Force) | FRC Collect time 3004.94 (20.37% of Force) | Other 508.31 ( 3.45% of Force) | Force time 14749.42 (64.22% of Runmd) | Shake time 176.22 ( 0.77% of Runmd) | Verlet update time 1982.86 ( 8.63% of Runmd) | Ekcmr time 2472.23 (10.76% of Runmd) | CRD distribute time 3125.45 (13.61% of Runmd) | Other 461.33 ( 2.01% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 47 | Build the list 1463.28 (57.28% of List ) | Other 1091.11 (42.72% of List ) | List time 2554.39 (22.93% of Nonbo) | Short_ene time 2349.09 (59.37% of Direc) | Other 1607.30 (40.63% of Direc) | Direct Ewald time 3956.39 (46.09% of Ewald) | Adjust Ewald time 30.67 ( 0.36% of Ewald) | Fill Bspline coeffs 568.50 (16.90% of Recip) | Fill charge grid 109.07 ( 3.24% of Recip) | Scalar sum 118.23 ( 3.51% of Recip) | Grad sum 174.31 ( 5.18% of Recip) | FFT back comm time 1710.43 (76.02% of FFT t) | Other 539.53 (23.98% of FFT t) | FFT time 2249.96 (66.88% of Recip) | Other 144.03 ( 4.28% of Recip) | Recip Ewald time 3364.11 (39.19% of Ewald) | Force Adjust 472.52 ( 5.50% of Ewald) | Virial junk 758.76 ( 8.84% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.17 ( 0.01% of Ewald) | Ewald time 8584.55 (77.06% of Nonbo) | Other 1.20 ( 0.01% of Nonbo) | Nonbond force 11140.33 (75.57% of Force) | Bond/Angle/Dihedral 53.51 ( 0.36% of Force) | FRC Collect time 3004.75 (20.38% of Force) | Other 542.39 ( 3.68% of Force) | Force time 14740.98 (64.18% of Runmd) | Shake time 178.58 ( 0.78% of Runmd) | Verlet update time 2108.14 ( 9.18% of Runmd) | Ekcmr time 2144.43 ( 9.34% of Runmd) | CRD distribute time 3320.72 (14.46% of Runmd) | Other 474.65 ( 2.07% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 48 | Build the list 1465.01 (57.08% of List ) | Other 1101.56 (42.92% of List ) | List time 2566.57 (23.00% of Nonbo) | Short_ene time 2381.90 (59.65% of Direc) | Other 1611.17 (40.35% of Direc) | Direct Ewald time 3993.07 (46.48% of Ewald) | Adjust Ewald time 30.32 ( 0.35% of Ewald) | Fill Bspline coeffs 575.08 (17.10% of Recip) | Fill charge grid 106.46 ( 3.17% of Recip) | Scalar sum 118.89 ( 3.54% of Recip) | Grad sum 173.42 ( 5.16% of Recip) | FFT back comm time 1691.72 (75.65% of FFT t) | Other 544.59 (24.35% of FFT t) | FFT time 2236.31 (66.50% of Recip) | Other 152.90 ( 4.55% of Recip) | Recip Ewald time 3363.06 (39.15% of Ewald) | Force Adjust 429.43 ( 5.00% of Ewald) | Virial junk 773.08 ( 9.00% of Ewald) | Start sycnronization 0.76 ( 0.01% of Ewald) | Other 1.27 ( 0.01% of Ewald) | Ewald time 8591.26 (76.99% of Nonbo) | Other 1.24 ( 0.01% of Nonbo) | Nonbond force 11159.28 (75.64% of Force) | Bond/Angle/Dihedral 53.25 ( 0.36% of Force) | FRC Collect time 3014.45 (20.43% of Force) | Other 525.88 ( 3.56% of Force) | Force time 14752.86 (64.23% of Runmd) | Shake time 174.51 ( 0.76% of Runmd) | Verlet update time 1687.79 ( 7.35% of Runmd) | Ekcmr time 4064.28 (17.70% of Runmd) | CRD distribute time 1922.96 ( 8.37% of Runmd) | Other 365.09 ( 1.59% of Runmd) | Runmd Time 22967.49 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 49 | Build the list 1465.60 (57.42% of List ) | Other 1086.75 (42.58% of List ) | List time 2552.35 (22.93% of Nonbo) | Short_ene time 2603.93 (62.45% of Direc) | Other 1565.62 (37.55% of Direc) | Direct Ewald time 4169.55 (48.61% of Ewald) | Adjust Ewald time 29.62 ( 0.35% of Ewald) | Fill Bspline coeffs 577.43 (17.23% of Recip) | Fill charge grid 100.46 ( 3.00% of Recip) | Scalar sum 118.90 ( 3.55% of Recip) | Grad sum 172.04 ( 5.13% of Recip) | FFT back comm time 1693.05 (75.93% of FFT t) | Other 536.72 (24.07% of FFT t) | FFT time 2229.78 (66.53% of Recip) | Other 153.09 ( 4.57% of Recip) | Recip Ewald time 3351.69 (39.08% of Ewald) | Force Adjust 254.65 ( 2.97% of Ewald) | Virial junk 769.73 ( 8.97% of Ewald) | Start sycnronization 0.66 ( 0.01% of Ewald) | Other 1.17 ( 0.01% of Ewald) | Ewald time 8577.34 (77.06% of Nonbo) | Other 1.09 ( 0.01% of Nonbo) | Nonbond force 11130.97 (75.50% of Force) | Bond/Angle/Dihedral 53.44 ( 0.36% of Force) | FRC Collect time 3014.99 (20.45% of Force) | Other 544.13 ( 3.69% of Force) | Force time 14743.53 (64.19% of Runmd) | Shake time 173.27 ( 0.75% of Runmd) | Verlet update time 1825.21 ( 7.95% of Runmd) | Ekcmr time 3141.46 (13.68% of Runmd) | CRD distribute time 2612.89 (11.38% of Runmd) | Other 471.15 ( 2.05% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 50 | Build the list 1470.91 (57.35% of List ) | Other 1093.96 (42.65% of List ) | List time 2564.87 (22.95% of Nonbo) | Short_ene time 2361.94 (60.07% of Direc) | Other 1570.03 (39.93% of Direc) | Direct Ewald time 3931.97 (45.68% of Ewald) | Adjust Ewald time 30.60 ( 0.36% of Ewald) | Fill Bspline coeffs 569.64 (16.85% of Recip) | Fill charge grid 109.54 ( 3.24% of Recip) | Scalar sum 118.45 ( 3.50% of Recip) | Grad sum 172.65 ( 5.11% of Recip) | FFT back comm time 1696.50 (75.14% of FFT t) | Other 561.39 (24.86% of FFT t) | FFT time 2257.88 (66.80% of Recip) | Other 152.06 ( 4.50% of Recip) | Recip Ewald time 3380.23 (39.27% of Ewald) | Force Adjust 493.32 ( 5.73% of Ewald) | Virial junk 769.24 ( 8.94% of Ewald) | Start sycnronization 0.84 ( 0.01% of Ewald) | Other 1.33 ( 0.02% of Ewald) | Ewald time 8607.83 (77.03% of Nonbo) | Other 1.25 ( 0.01% of Nonbo) | Nonbond force 11174.16 (75.75% of Force) | Bond/Angle/Dihedral 52.67 ( 0.36% of Force) | FRC Collect time 3011.88 (20.42% of Force) | Other 512.68 ( 3.48% of Force) | Force time 14751.39 (64.23% of Runmd) | Shake time 175.70 ( 0.76% of Runmd) | Verlet update time 1825.92 ( 7.95% of Runmd) | Ekcmr time 3360.21 (14.63% of Runmd) | CRD distribute time 2396.54 (10.43% of Runmd) | Other 457.74 ( 1.99% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 51 | Build the list 1461.49 (57.04% of List ) | Other 1100.83 (42.96% of List ) | List time 2562.32 (23.00% of Nonbo) | Short_ene time 2408.53 (60.08% of Direc) | Other 1600.01 (39.92% of Direc) | Direct Ewald time 4008.53 (46.73% of Ewald) | Adjust Ewald time 30.32 ( 0.35% of Ewald) | Fill Bspline coeffs 576.12 (17.18% of Recip) | Fill charge grid 100.63 ( 3.00% of Recip) | Scalar sum 118.89 ( 3.55% of Recip) | Grad sum 171.05 ( 5.10% of Recip) | FFT back comm time 1697.71 (76.00% of FFT t) | Other 536.15 (24.00% of FFT t) | FFT time 2233.85 (66.63% of Recip) | Other 152.04 ( 4.53% of Recip) | Recip Ewald time 3352.58 (39.09% of Ewald) | Force Adjust 423.13 ( 4.93% of Ewald) | Virial junk 760.96 ( 8.87% of Ewald) | Start sycnronization 0.63 ( 0.01% of Ewald) | Other 1.15 ( 0.01% of Ewald) | Ewald time 8577.58 (76.99% of Nonbo) | Other 1.17 ( 0.01% of Nonbo) | Nonbond force 11141.25 (75.58% of Force) | Bond/Angle/Dihedral 53.48 ( 0.36% of Force) | FRC Collect time 3011.52 (20.43% of Force) | Other 535.39 ( 3.63% of Force) | Force time 14741.63 (64.18% of Runmd) | Shake time 175.87 ( 0.77% of Runmd) | Verlet update time 1908.76 ( 8.31% of Runmd) | Ekcmr time 2819.56 (12.28% of Runmd) | CRD distribute time 2861.88 (12.46% of Runmd) | Other 459.80 ( 2.00% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 52 | Build the list 1464.80 (56.67% of List ) | Other 1119.97 (43.33% of List ) | List time 2584.78 (23.12% of Nonbo) | Short_ene time 2702.64 (63.58% of Direc) | Other 1548.12 (36.42% of Direc) | Direct Ewald time 4250.76 (49.47% of Ewald) | Adjust Ewald time 29.49 ( 0.34% of Ewald) | Fill Bspline coeffs 576.58 (17.14% of Recip) | Fill charge grid 104.27 ( 3.10% of Recip) | Scalar sum 118.43 ( 3.52% of Recip) | Grad sum 172.75 ( 5.13% of Recip) | FFT back comm time 1702.26 (75.86% of FFT t) | Other 541.55 (24.14% of FFT t) | FFT time 2243.81 (66.69% of Recip) | Other 148.88 ( 4.42% of Recip) | Recip Ewald time 3364.73 (39.16% of Ewald) | Force Adjust 174.84 ( 2.03% of Ewald) | Virial junk 770.61 ( 8.97% of Ewald) | Start sycnronization 0.69 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8592.57 (76.87% of Nonbo) | Other 1.20 ( 0.01% of Nonbo) | Nonbond force 11178.74 (75.76% of Force) | Bond/Angle/Dihedral 53.34 ( 0.36% of Force) | FRC Collect time 3014.95 (20.43% of Force) | Other 508.08 ( 3.44% of Force) | Force time 14755.11 (64.24% of Runmd) | Shake time 174.64 ( 0.76% of Runmd) | Verlet update time 1907.84 ( 8.31% of Runmd) | Ekcmr time 2867.27 (12.48% of Runmd) | CRD distribute time 2793.01 (12.16% of Runmd) | Other 469.64 ( 2.04% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 53 | Build the list 1461.48 (57.02% of List ) | Other 1101.67 (42.98% of List ) | List time 2563.15 (23.00% of Nonbo) | Short_ene time 2418.69 (60.45% of Direc) | Other 1582.71 (39.55% of Direc) | Direct Ewald time 4001.39 (46.63% of Ewald) | Adjust Ewald time 30.42 ( 0.35% of Ewald) | Fill Bspline coeffs 575.24 (17.15% of Recip) | Fill charge grid 106.83 ( 3.18% of Recip) | Scalar sum 118.27 ( 3.53% of Recip) | Grad sum 173.47 ( 5.17% of Recip) | FFT back comm time 1705.70 (76.34% of FFT t) | Other 528.77 (23.66% of FFT t) | FFT time 2234.47 (66.60% of Recip) | Other 146.80 ( 4.38% of Recip) | Recip Ewald time 3355.09 (39.10% of Ewald) | Force Adjust 426.29 ( 4.97% of Ewald) | Virial junk 765.23 ( 8.92% of Ewald) | Start sycnronization 0.73 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8580.64 (76.99% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11145.19 (75.58% of Force) | Bond/Angle/Dihedral 53.59 ( 0.36% of Force) | FRC Collect time 3015.03 (20.45% of Force) | Other 531.89 ( 3.61% of Force) | Force time 14745.71 (64.20% of Runmd) | Shake time 174.26 ( 0.76% of Runmd) | Verlet update time 2018.98 ( 8.79% of Runmd) | Ekcmr time 2369.28 (10.32% of Runmd) | CRD distribute time 3218.83 (14.01% of Runmd) | Other 440.45 ( 1.92% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 54 | Build the list 1468.70 (57.11% of List ) | Other 1102.79 (42.89% of List ) | List time 2571.49 (23.02% of Nonbo) | Short_ene time 2433.92 (60.32% of Direc) | Other 1601.38 (39.68% of Direc) | Direct Ewald time 4035.30 (46.92% of Ewald) | Adjust Ewald time 30.25 ( 0.35% of Ewald) | Fill Bspline coeffs 573.49 (17.01% of Recip) | Fill charge grid 111.82 ( 3.32% of Recip) | Scalar sum 118.11 ( 3.50% of Recip) | Grad sum 173.79 ( 5.15% of Recip) | FFT back comm time 1707.14 (75.91% of FFT t) | Other 541.77 (24.09% of FFT t) | FFT time 2248.91 (66.68% of Recip) | Other 146.33 ( 4.34% of Recip) | Recip Ewald time 3372.45 (39.22% of Ewald) | Force Adjust 390.11 ( 4.54% of Ewald) | Virial junk 769.07 ( 8.94% of Ewald) | Start sycnronization 0.84 ( 0.01% of Ewald) | Other 1.30 ( 0.02% of Ewald) | Ewald time 8599.58 (76.97% of Nonbo) | Other 1.26 ( 0.01% of Nonbo) | Nonbond force 11172.54 (75.73% of Force) | Bond/Angle/Dihedral 53.58 ( 0.36% of Force) | FRC Collect time 3012.67 (20.42% of Force) | Other 514.97 ( 3.49% of Force) | Force time 14753.75 (64.24% of Runmd) | Shake time 176.55 ( 0.77% of Runmd) | Verlet update time 2003.66 ( 8.72% of Runmd) | Ekcmr time 2486.35 (10.83% of Runmd) | CRD distribute time 3102.04 (13.51% of Runmd) | Other 445.15 ( 1.94% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 55 | Build the list 1458.86 (56.72% of List ) | Other 1113.38 (43.28% of List ) | List time 2572.24 (23.06% of Nonbo) | Short_ene time 2609.55 (62.90% of Direc) | Other 1539.23 (37.10% of Direc) | Direct Ewald time 4148.79 (48.35% of Ewald) | Adjust Ewald time 29.86 ( 0.35% of Ewald) | Fill Bspline coeffs 566.17 (16.87% of Recip) | Fill charge grid 109.10 ( 3.25% of Recip) | Scalar sum 118.02 ( 3.52% of Recip) | Grad sum 173.49 ( 5.17% of Recip) | FFT back comm time 1708.22 (76.14% of FFT t) | Other 535.32 (23.86% of FFT t) | FFT time 2243.54 (66.84% of Recip) | Other 146.24 ( 4.36% of Recip) | Recip Ewald time 3356.56 (39.11% of Ewald) | Force Adjust 274.92 ( 3.20% of Ewald) | Virial junk 768.83 ( 8.96% of Ewald) | Start sycnronization 0.81 ( 0.01% of Ewald) | Other 1.24 ( 0.01% of Ewald) | Ewald time 8581.27 (76.93% of Nonbo) | Other 1.27 ( 0.01% of Nonbo) | Nonbond force 11154.98 (75.65% of Force) | Bond/Angle/Dihedral 53.33 ( 0.36% of Force) | FRC Collect time 3012.27 (20.43% of Force) | Other 524.36 ( 3.56% of Force) | Force time 14744.95 (64.20% of Runmd) | Shake time 175.83 ( 0.77% of Runmd) | Verlet update time 2058.77 ( 8.96% of Runmd) | Ekcmr time 2241.45 ( 9.76% of Runmd) | CRD distribute time 3337.50 (14.53% of Runmd) | Other 409.00 ( 1.78% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 56 | Build the list 1466.83 (57.21% of List ) | Other 1097.15 (42.79% of List ) | List time 2563.98 (22.96% of Nonbo) | Short_ene time 2395.02 (60.39% of Direc) | Other 1570.89 (39.61% of Direc) | Direct Ewald time 3965.91 (46.11% of Ewald) | Adjust Ewald time 30.52 ( 0.35% of Ewald) | Fill Bspline coeffs 567.62 (16.82% of Recip) | Fill charge grid 106.00 ( 3.14% of Recip) | Scalar sum 118.78 ( 3.52% of Recip) | Grad sum 168.39 ( 4.99% of Recip) | FFT back comm time 1667.73 (74.58% of FFT t) | Other 568.48 (25.42% of FFT t) | FFT time 2236.21 (66.27% of Recip) | Other 177.34 ( 5.26% of Recip) | Recip Ewald time 3374.35 (39.24% of Ewald) | Force Adjust 462.41 ( 5.38% of Ewald) | Virial junk 764.70 ( 8.89% of Ewald) | Start sycnronization 0.76 ( 0.01% of Ewald) | Other 1.26 ( 0.01% of Ewald) | Ewald time 8600.18 (77.02% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11165.52 (75.69% of Force) | Bond/Angle/Dihedral 54.72 ( 0.37% of Force) | FRC Collect time 3014.81 (20.44% of Force) | Other 516.17 ( 3.50% of Force) | Force time 14751.22 (64.23% of Runmd) | Shake time 174.79 ( 0.76% of Runmd) | Verlet update time 1813.44 ( 7.90% of Runmd) | Ekcmr time 3589.28 (15.63% of Runmd) | CRD distribute time 2154.45 ( 9.38% of Runmd) | Other 484.31 ( 2.11% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.27 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 57 | Build the list 1459.65 (57.12% of List ) | Other 1095.55 (42.88% of List ) | List time 2555.20 (22.94% of Nonbo) | Short_ene time 2492.27 (60.88% of Direc) | Other 1601.74 (39.12% of Direc) | Direct Ewald time 4094.01 (47.71% of Ewald) | Adjust Ewald time 30.10 ( 0.35% of Ewald) | Fill Bspline coeffs 567.68 (16.91% of Recip) | Fill charge grid 104.84 ( 3.12% of Recip) | Scalar sum 118.84 ( 3.54% of Recip) | Grad sum 169.81 ( 5.06% of Recip) | FFT back comm time 1678.40 (75.38% of FFT t) | Other 548.24 (24.62% of FFT t) | FFT time 2226.64 (66.32% of Recip) | Other 169.49 ( 5.05% of Recip) | Recip Ewald time 3357.31 (39.13% of Ewald) | Force Adjust 327.03 ( 3.81% of Ewald) | Virial junk 769.79 ( 8.97% of Ewald) | Start sycnronization 0.72 ( 0.01% of Ewald) | Other 1.23 ( 0.01% of Ewald) | Ewald time 8580.48 (77.04% of Nonbo) | Other 1.21 ( 0.01% of Nonbo) | Nonbond force 11137.09 (75.55% of Force) | Bond/Angle/Dihedral 54.85 ( 0.37% of Force) | FRC Collect time 3015.40 (20.45% of Force) | Other 534.55 ( 3.63% of Force) | Force time 14741.89 (64.19% of Runmd) | Shake time 175.57 ( 0.76% of Runmd) | Verlet update time 1854.44 ( 8.07% of Runmd) | Ekcmr time 3368.40 (14.67% of Runmd) | CRD distribute time 2300.34 (10.02% of Runmd) | Other 526.85 ( 2.29% of Runmd) | Runmd Time 22967.49 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 58 | Build the list 1468.10 (57.07% of List ) | Other 1104.56 (42.93% of List ) | List time 2572.65 (23.04% of Nonbo) | Short_ene time 2607.47 (62.73% of Direc) | Other 1549.41 (37.27% of Direc) | Direct Ewald time 4156.88 (48.39% of Ewald) | Adjust Ewald time 29.80 ( 0.35% of Ewald) | Fill Bspline coeffs 572.44 (17.01% of Recip) | Fill charge grid 106.03 ( 3.15% of Recip) | Scalar sum 118.86 ( 3.53% of Recip) | Grad sum 171.75 ( 5.10% of Recip) | FFT back comm time 1678.79 (75.30% of FFT t) | Other 550.56 (24.70% of FFT t) | FFT time 2229.35 (66.23% of Recip) | Other 167.75 ( 4.98% of Recip) | Recip Ewald time 3366.20 (39.18% of Ewald) | Force Adjust 270.96 ( 3.15% of Ewald) | Virial junk 764.85 ( 8.90% of Ewald) | Start sycnronization 0.83 ( 0.01% of Ewald) | Other 1.31 ( 0.02% of Ewald) | Ewald time 8591.12 (76.95% of Nonbo) | Other 1.25 ( 0.01% of Nonbo) | Nonbond force 11165.23 (75.69% of Force) | Bond/Angle/Dihedral 54.83 ( 0.37% of Force) | FRC Collect time 3014.27 (20.43% of Force) | Other 517.33 ( 3.51% of Force) | Force time 14751.65 (64.23% of Runmd) | Shake time 176.97 ( 0.77% of Runmd) | Verlet update time 1874.42 ( 8.16% of Runmd) | Ekcmr time 3190.32 (13.89% of Runmd) | CRD distribute time 2483.95 (10.82% of Runmd) | Other 490.19 ( 2.13% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 59 | Build the list 1463.61 (57.05% of List ) | Other 1101.86 (42.95% of List ) | List time 2565.46 (23.02% of Nonbo) | Short_ene time 2451.02 (60.63% of Direc) | Other 1591.62 (39.37% of Direc) | Direct Ewald time 4042.64 (47.14% of Ewald) | Adjust Ewald time 30.19 ( 0.35% of Ewald) | Fill Bspline coeffs 574.25 (17.12% of Recip) | Fill charge grid 99.58 ( 2.97% of Recip) | Scalar sum 118.61 ( 3.54% of Recip) | Grad sum 168.10 ( 5.01% of Recip) | FFT back comm time 1679.95 (75.55% of FFT t) | Other 543.61 (24.45% of FFT t) | FFT time 2223.57 (66.28% of Recip) | Other 170.58 ( 5.08% of Recip) | Recip Ewald time 3354.69 (39.12% of Ewald) | Force Adjust 385.58 ( 4.50% of Ewald) | Virial junk 761.18 ( 8.88% of Ewald) | Start sycnronization 0.67 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8576.39 (76.97% of Nonbo) | Other 1.16 ( 0.01% of Nonbo) | Nonbond force 11143.19 (75.59% of Force) | Bond/Angle/Dihedral 55.18 ( 0.37% of Force) | FRC Collect time 3014.01 (20.44% of Force) | Other 530.00 ( 3.60% of Force) | Force time 14742.37 (64.19% of Runmd) | Shake time 177.69 ( 0.77% of Runmd) | Verlet update time 1999.44 ( 8.71% of Runmd) | Ekcmr time 2739.08 (11.93% of Runmd) | CRD distribute time 2834.50 (12.34% of Runmd) | Other 474.41 ( 2.07% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 60 | Build the list 1469.61 (56.99% of List ) | Other 1109.10 (43.01% of List ) | List time 2578.71 (23.09% of Nonbo) | Short_ene time 2452.29 (60.51% of Direc) | Other 1600.57 (39.49% of Direc) | Direct Ewald time 4052.86 (47.18% of Ewald) | Adjust Ewald time 30.34 ( 0.35% of Ewald) | Fill Bspline coeffs 566.10 (16.83% of Recip) | Fill charge grid 106.50 ( 3.17% of Recip) | Scalar sum 118.41 ( 3.52% of Recip) | Grad sum 169.82 ( 5.05% of Recip) | FFT back comm time 1686.84 (75.40% of FFT t) | Other 550.49 (24.60% of FFT t) | FFT time 2237.34 (66.51% of Recip) | Other 165.56 ( 4.92% of Recip) | Recip Ewald time 3363.72 (39.16% of Ewald) | Force Adjust 378.20 ( 4.40% of Ewald) | Virial junk 762.54 ( 8.88% of Ewald) | Start sycnronization 0.74 ( 0.01% of Ewald) | Other 1.22 ( 0.01% of Ewald) | Ewald time 8589.89 (76.90% of Nonbo) | Other 1.19 ( 0.01% of Nonbo) | Nonbond force 11169.99 (75.70% of Force) | Bond/Angle/Dihedral 58.26 ( 0.39% of Force) | FRC Collect time 3016.72 (20.45% of Force) | Other 510.13 ( 3.46% of Force) | Force time 14755.09 (64.24% of Runmd) | Shake time 174.50 ( 0.76% of Runmd) | Verlet update time 1841.43 ( 8.02% of Runmd) | Ekcmr time 3303.85 (14.38% of Runmd) | CRD distribute time 2409.58 (10.49% of Runmd) | Other 483.05 ( 2.10% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 61 | Build the list 1468.71 (57.38% of List ) | Other 1090.74 (42.62% of List ) | List time 2559.46 (22.96% of Nonbo) | Short_ene time 2638.16 (63.17% of Direc) | Other 1538.43 (36.83% of Direc) | Direct Ewald time 4176.59 (48.64% of Ewald) | Adjust Ewald time 29.59 ( 0.34% of Ewald) | Fill Bspline coeffs 573.48 (17.05% of Recip) | Fill charge grid 102.05 ( 3.03% of Recip) | Scalar sum 118.43 ( 3.52% of Recip) | Grad sum 169.97 ( 5.05% of Recip) | FFT back comm time 1688.41 (75.52% of FFT t) | Other 547.44 (24.48% of FFT t) | FFT time 2235.85 (66.46% of Recip) | Other 164.35 ( 4.89% of Recip) | Recip Ewald time 3364.12 (39.17% of Ewald) | Force Adjust 243.40 ( 2.83% of Ewald) | Virial junk 771.72 ( 8.99% of Ewald) | Start sycnronization 0.70 ( 0.01% of Ewald) | Other 1.18 ( 0.01% of Ewald) | Ewald time 8587.56 (77.03% of Nonbo) | Other 1.15 ( 0.01% of Nonbo) | Nonbond force 11148.36 (75.60% of Force) | Bond/Angle/Dihedral 64.41 ( 0.44% of Force) | FRC Collect time 3016.85 (20.46% of Force) | Other 516.15 ( 3.50% of Force) | Force time 14745.77 (64.20% of Runmd) | Shake time 173.59 ( 0.76% of Runmd) | Verlet update time 1983.59 ( 8.64% of Runmd) | Ekcmr time 2498.24 (10.88% of Runmd) | CRD distribute time 3146.15 (13.70% of Runmd) | Other 420.16 ( 1.83% of Runmd) | Runmd Time 22967.49 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 62 | Build the list 1470.67 (57.55% of List ) | Other 1084.74 (42.45% of List ) | List time 2555.41 (22.89% of Nonbo) | Short_ene time 2562.71 (62.05% of Direc) | Other 1567.54 (37.95% of Direc) | Direct Ewald time 4130.25 (47.97% of Ewald) | Adjust Ewald time 29.90 ( 0.35% of Ewald) | Fill Bspline coeffs 578.46 (17.09% of Recip) | Fill charge grid 109.02 ( 3.22% of Recip) | Scalar sum 118.21 ( 3.49% of Recip) | Grad sum 170.63 ( 5.04% of Recip) | FFT back comm time 1690.29 (75.32% of FFT t) | Other 553.96 (24.68% of FFT t) | FFT time 2244.26 (66.31% of Recip) | Other 164.02 ( 4.85% of Recip) | Recip Ewald time 3384.59 (39.31% of Ewald) | Force Adjust 300.40 ( 3.49% of Ewald) | Virial junk 761.61 ( 8.85% of Ewald) | Start sycnronization 0.89 ( 0.01% of Ewald) | Other 1.30 ( 0.02% of Ewald) | Ewald time 8609.22 (77.10% of Nonbo) | Other 1.20 ( 0.01% of Nonbo) | Nonbond force 11166.05 (75.69% of Force) | Bond/Angle/Dihedral 64.95 ( 0.44% of Force) | FRC Collect time 3013.60 (20.43% of Force) | Other 508.03 ( 3.44% of Force) | Force time 14752.63 (64.23% of Runmd) | Shake time 177.04 ( 0.77% of Runmd) | Verlet update time 1958.26 ( 8.53% of Runmd) | Ekcmr time 2606.29 (11.35% of Runmd) | CRD distribute time 3032.77 (13.20% of Runmd) | Other 440.53 ( 1.92% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 63 | Build the list 1454.86 (56.65% of List ) | Other 1113.17 (43.35% of List ) | List time 2568.02 (23.06% of Nonbo) | Short_ene time 2145.48 (58.02% of Direc) | Other 1552.28 (41.98% of Direc) | Direct Ewald time 3697.76 (43.17% of Ewald) | Adjust Ewald time 30.74 ( 0.36% of Ewald) | Fill Bspline coeffs 580.02 (17.35% of Recip) | Fill charge grid 94.91 ( 2.84% of Recip) | Scalar sum 118.08 ( 3.53% of Recip) | Grad sum 169.61 ( 5.07% of Recip) | FFT back comm time 1692.42 (76.31% of FFT t) | Other 525.47 (23.69% of FFT t) | FFT time 2217.89 (66.33% of Recip) | Other 162.97 ( 4.87% of Recip) | Recip Ewald time 3343.49 (39.03% of Ewald) | Force Adjust 724.78 ( 8.46% of Ewald) | Virial junk 766.71 ( 8.95% of Ewald) | Start sycnronization 0.62 ( 0.01% of Ewald) | Other 1.11 ( 0.01% of Ewald) | Ewald time 8565.44 (76.93% of Nonbo) | Other 1.09 ( 0.01% of Nonbo) | Nonbond force 11134.73 (75.52% of Force) | Bond/Angle/Dihedral 71.06 ( 0.48% of Force) | FRC Collect time 3013.32 (20.44% of Force) | Other 525.01 ( 3.56% of Force) | Force time 14744.12 (64.20% of Runmd) | Shake time 177.32 ( 0.77% of Runmd) | Verlet update time 2021.59 ( 8.80% of Runmd) | Ekcmr time 2314.43 (10.08% of Runmd) | CRD distribute time 3293.92 (14.34% of Runmd) | Other 416.11 ( 1.81% of Runmd) | Runmd Time 22967.50 (100.0% of Total) | Other 1.28 ( 0.01% of Total) | Total time 22968.78 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 1465.88 ( 1450.73 1478.91 5.58) | Other 1099.37 ( 1072.66 1119.97 10.61) | List time 2565.26 ( 2540.59 2586.76 9.46) | Short_ene time 2443.16 ( 2145.48 2702.64 111.51) | Other 1585.29 ( 1528.71 1632.53 25.43) | Direct Ewald time 4028.45 ( 3697.76 4250.76 96.63) | Adjust Ewald time 31.87 ( 29.49 34.51 1.75) | Fill Bspline coeffs 594.76 ( 553.66 649.65 30.39) | Fill charge grid 133.82 ( 94.91 185.90 32.02) | Scalar sum 166.21 ( 117.42 236.38 57.65) | Grad sum 205.98 ( 168.10 261.11 40.02) | FFT back comm time 1691.69 ( 1667.73 1710.43 11.28) | Other 464.08 ( 313.06 568.50 100.83) | FFT time 2155.77 ( 2008.76 2272.04 101.47) | Other 106.07 ( 24.33 177.34 59.32) | Recip Ewald time 3362.61 ( 3335.06 3388.76 11.61) | Force Adjust 401.37 ( 174.84 724.78 98.69) | Virial junk 761.88 ( 752.63 773.08 5.63) | Start sycnronization 0.74 ( 0.61 0.91 0.07) | Other 1.23 ( 1.11 1.35 0.05) | Ewald time 8588.46 ( 8559.99 8615.65 12.25) | Other 1.18 ( 1.02 1.28 0.06) | Nonbond force 11155.09 ( 11124.15 11183.72 15.31) | Bond/Angle/Dihedral 52.90 ( 49.08 71.06 3.53) | FRC Collect time 3253.17 ( 3000.84 3846.69 258.77) | Other 529.90 ( 508.03 554.49 12.31) | Force time 14991.06 ( 14739.19 15589.74 259.81) | Shake time 171.35 ( 115.37 185.98 13.81) | Verlet update time 1721.12 ( 1164.50 2261.89 272.54) | Ekcmr time 2759.98 ( 1809.75 4184.08 581.06) | CRD distribute time 2851.46 ( 1890.87 3523.32 430.54) | Other 472.57 ( 297.27 622.21 66.57) | Runmd Time 22967.55 ( 22967.49 22970.55 0.38) | Other 1.27 ( 1.16 1.28 0.01) | Total time 22968.82 ( 22968.77 22971.82 0.38)