|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 826.83 (57.05% of List ) | Other 622.37 (42.95% of List ) | List time 1449.20 (22.92% of Nonbo) | Short_ene time 1483.88 (62.89% of Direc) | Other 875.76 (37.11% of Direc) | Direct Ewald time 2359.64 (48.42% of Ewald) | Adjust Ewald time 18.77 ( 0.39% of Ewald) | Self Ewald time 1.14 ( 0.02% of Ewald) | Fill Bspline coeffs 350.58 (18.44% of Recip) | Fill charge grid 101.84 ( 5.36% of Recip) | Scalar sum 135.11 ( 7.11% of Recip) | Grad sum 144.65 ( 7.61% of Recip) | FFT back comm time 952.23 (83.16% of FFT t) | Other 192.76 (16.84% of FFT t) | FFT time 1144.99 (60.22% of Recip) | Other 24.24 ( 1.28% of Recip) | Recip Ewald time 1901.42 (39.02% of Ewald) | Force Adjust 148.95 ( 3.06% of Ewald) | Virial junk 441.97 ( 9.07% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4872.99 (77.07% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6322.98 (73.41% of Force) | Bond/Angle/Dihedral 28.11 ( 0.33% of Force) | FRC Collect time 1948.57 (22.62% of Force) | Other 313.14 ( 3.64% of Force) | Force time 8612.80 (67.76% of Runmd) | Shake time 117.84 ( 0.93% of Runmd) | Verlet update time 1328.20 (10.45% of Runmd) | Ekcmr time 897.56 ( 7.06% of Runmd) | CRD distribute time 1406.41 (11.07% of Runmd) | Other 347.51 ( 2.73% of Runmd) | Runmd Time 12710.33 (100.0% of Total) | Other 1.36 ( 0.01% of Total) | Total time 12711.79 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 830.30 (57.38% of List ) | Other 616.65 (42.62% of List ) | List time 1446.95 (22.85% of Nonbo) | Short_ene time 1414.94 (61.66% of Direc) | Other 879.67 (38.34% of Direc) | Direct Ewald time 2294.61 (46.99% of Ewald) | Adjust Ewald time 18.85 ( 0.39% of Ewald) | Fill Bspline coeffs 357.01 (18.69% of Recip) | Fill charge grid 99.87 ( 5.23% of Recip) | Scalar sum 134.89 ( 7.06% of Recip) | Grad sum 143.98 ( 7.54% of Recip) | FFT back comm time 956.59 (83.04% of FFT t) | Other 195.37 (16.96% of FFT t) | FFT time 1151.96 (60.30% of Recip) | Other 22.65 ( 1.19% of Recip) | Recip Ewald time 1910.35 (39.12% of Ewald) | Force Adjust 220.69 ( 4.52% of Ewald) | Virial junk 437.55 ( 8.96% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4883.38 (77.13% of Nonbo) | Other 0.63 ( 0.01% of Nonbo) | Nonbond force 6331.07 (73.80% of Force) | Bond/Angle/Dihedral 27.66 ( 0.32% of Force) | FRC Collect time 1915.83 (22.33% of Force) | Other 304.20 ( 3.55% of Force) | Force time 8578.76 (67.51% of Runmd) | Shake time 79.09 ( 0.62% of Runmd) | Verlet update time 763.02 ( 6.00% of Runmd) | Ekcmr time 1416.65 (11.15% of Runmd) | CRD distribute time 1537.20 (12.10% of Runmd) | Other 332.59 ( 2.62% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 834.00 (57.42% of List ) | Other 618.43 (42.58% of List ) | List time 1452.44 (22.92% of Nonbo) | Short_ene time 1364.03 (60.28% of Direc) | Other 898.80 (39.72% of Direc) | Direct Ewald time 2262.83 (46.33% of Ewald) | Adjust Ewald time 19.15 ( 0.39% of Ewald) | Fill Bspline coeffs 354.71 (18.54% of Recip) | Fill charge grid 99.36 ( 5.19% of Recip) | Scalar sum 135.02 ( 7.06% of Recip) | Grad sum 144.29 ( 7.54% of Recip) | FFT back comm time 956.47 (82.61% of FFT t) | Other 201.37 (17.39% of FFT t) | FFT time 1157.84 (60.51% of Recip) | Other 22.21 ( 1.16% of Recip) | Recip Ewald time 1913.43 (39.17% of Ewald) | Force Adjust 249.17 ( 5.10% of Ewald) | Virial junk 438.75 ( 8.98% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4884.60 (77.07% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6337.79 (74.33% of Force) | Bond/Angle/Dihedral 28.36 ( 0.33% of Force) | FRC Collect time 1859.48 (21.81% of Force) | Other 300.37 ( 3.52% of Force) | Force time 8525.99 (67.10% of Runmd) | Shake time 78.45 ( 0.62% of Runmd) | Verlet update time 791.11 ( 6.23% of Runmd) | Ekcmr time 1457.57 (11.47% of Runmd) | CRD distribute time 1501.32 (11.81% of Runmd) | Other 352.86 ( 2.78% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 827.31 (56.91% of List ) | Other 626.44 (43.09% of List ) | List time 1453.75 (22.96% of Nonbo) | Short_ene time 1459.92 (61.78% of Direc) | Other 903.07 (38.22% of Direc) | Direct Ewald time 2362.99 (48.46% of Ewald) | Adjust Ewald time 18.82 ( 0.39% of Ewald) | Fill Bspline coeffs 358.11 (18.81% of Recip) | Fill charge grid 97.66 ( 5.13% of Recip) | Scalar sum 134.99 ( 7.09% of Recip) | Grad sum 142.57 ( 7.49% of Recip) | FFT back comm time 957.13 (83.43% of FFT t) | Other 190.08 (16.57% of FFT t) | FFT time 1147.21 (60.25% of Recip) | Other 23.53 ( 1.24% of Recip) | Recip Ewald time 1904.07 (39.05% of Ewald) | Force Adjust 150.60 ( 3.09% of Ewald) | Virial junk 438.79 ( 9.00% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4876.55 (77.03% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6331.11 (74.29% of Force) | Bond/Angle/Dihedral 28.33 ( 0.33% of Force) | FRC Collect time 1858.89 (21.81% of Force) | Other 304.15 ( 3.57% of Force) | Force time 8522.48 (67.07% of Runmd) | Shake time 74.31 ( 0.58% of Runmd) | Verlet update time 956.16 ( 7.52% of Runmd) | Ekcmr time 1087.62 ( 8.56% of Runmd) | CRD distribute time 1757.32 (13.83% of Runmd) | Other 309.42 ( 2.43% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 827.97 (56.67% of List ) | Other 633.17 (43.33% of List ) | List time 1461.14 (23.07% of Nonbo) | Short_ene time 1484.71 (62.84% of Direc) | Other 877.97 (37.16% of Direc) | Direct Ewald time 2362.68 (48.50% of Ewald) | Adjust Ewald time 18.70 ( 0.38% of Ewald) | Fill Bspline coeffs 360.82 (18.98% of Recip) | Fill charge grid 98.22 ( 5.17% of Recip) | Scalar sum 135.11 ( 7.11% of Recip) | Grad sum 142.54 ( 7.50% of Recip) | FFT back comm time 959.79 (84.06% of FFT t) | Other 182.05 (15.94% of FFT t) | FFT time 1141.83 (60.08% of Recip) | Other 22.02 ( 1.16% of Recip) | Recip Ewald time 1900.54 (39.01% of Ewald) | Force Adjust 148.94 ( 3.06% of Ewald) | Virial junk 439.74 ( 9.03% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 0.74 ( 0.02% of Ewald) | Ewald time 4871.97 (76.92% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6333.96 (74.83% of Force) | Bond/Angle/Dihedral 28.83 ( 0.34% of Force) | FRC Collect time 1797.44 (21.24% of Force) | Other 304.14 ( 3.59% of Force) | Force time 8464.37 (66.61% of Runmd) | Shake time 97.90 ( 0.77% of Runmd) | Verlet update time 779.79 ( 6.14% of Runmd) | Ekcmr time 1446.46 (11.38% of Runmd) | CRD distribute time 1541.94 (12.13% of Runmd) | Other 376.85 ( 2.97% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 824.29 (56.64% of List ) | Other 630.95 (43.36% of List ) | List time 1455.25 (23.01% of Nonbo) | Short_ene time 1355.45 (59.99% of Direc) | Other 903.93 (40.01% of Direc) | Direct Ewald time 2259.38 (46.42% of Ewald) | Adjust Ewald time 19.23 ( 0.40% of Ewald) | Fill Bspline coeffs 364.60 (19.24% of Recip) | Fill charge grid 91.65 ( 4.84% of Recip) | Scalar sum 134.86 ( 7.12% of Recip) | Grad sum 142.46 ( 7.52% of Recip) | FFT back comm time 961.05 (84.28% of FFT t) | Other 179.21 (15.72% of FFT t) | FFT time 1140.26 (60.18% of Recip) | Other 20.78 ( 1.10% of Recip) | Recip Ewald time 1894.62 (38.93% of Ewald) | Force Adjust 255.96 ( 5.26% of Ewald) | Virial junk 436.70 ( 8.97% of Ewald) | Start sycnronization 0.36 ( 0.01% of Ewald) | Other 0.66 ( 0.01% of Ewald) | Ewald time 4867.06 (76.97% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6323.06 (74.72% of Force) | Bond/Angle/Dihedral 28.33 ( 0.33% of Force) | FRC Collect time 1797.12 (21.24% of Force) | Other 313.26 ( 3.70% of Force) | Force time 8461.77 (66.59% of Runmd) | Shake time 94.67 ( 0.74% of Runmd) | Verlet update time 910.21 ( 7.16% of Runmd) | Ekcmr time 1195.94 ( 9.41% of Runmd) | CRD distribute time 1697.70 (13.36% of Runmd) | Other 347.02 ( 2.73% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 833.62 (56.97% of List ) | Other 629.59 (43.03% of List ) | List time 1463.21 (23.04% of Nonbo) | Short_ene time 1471.57 (62.52% of Direc) | Other 882.25 (37.48% of Direc) | Direct Ewald time 2353.82 (48.17% of Ewald) | Adjust Ewald time 19.07 ( 0.39% of Ewald) | Fill Bspline coeffs 370.52 (19.35% of Recip) | Fill charge grid 97.55 ( 5.09% of Recip) | Scalar sum 134.73 ( 7.04% of Recip) | Grad sum 142.11 ( 7.42% of Recip) | FFT back comm time 963.50 (83.90% of FFT t) | Other 184.91 (16.10% of FFT t) | FFT time 1148.41 (59.98% of Recip) | Other 21.43 ( 1.12% of Recip) | Recip Ewald time 1914.76 (39.19% of Ewald) | Force Adjust 156.43 ( 3.20% of Ewald) | Virial junk 440.65 ( 9.02% of Ewald) | Start sycnronization 0.51 ( 0.01% of Ewald) | Other 0.75 ( 0.02% of Ewald) | Ewald time 4886.15 (76.94% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6350.20 (75.01% of Force) | Bond/Angle/Dihedral 28.65 ( 0.34% of Force) | FRC Collect time 1796.99 (21.23% of Force) | Other 289.55 ( 3.42% of Force) | Force time 8465.39 (66.62% of Runmd) | Shake time 91.40 ( 0.72% of Runmd) | Verlet update time 951.03 ( 7.48% of Runmd) | Ekcmr time 1132.52 ( 8.91% of Runmd) | CRD distribute time 1752.68 (13.79% of Runmd) | Other 314.28 ( 2.47% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.46 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 825.18 (56.55% of List ) | Other 634.01 (43.45% of List ) | List time 1459.19 (23.05% of Nonbo) | Short_ene time 1514.18 (63.56% of Direc) | Other 867.95 (36.44% of Direc) | Direct Ewald time 2382.13 (48.92% of Ewald) | Adjust Ewald time 18.96 ( 0.39% of Ewald) | Fill Bspline coeffs 369.72 (19.48% of Recip) | Fill charge grid 92.61 ( 4.88% of Recip) | Scalar sum 134.97 ( 7.11% of Recip) | Grad sum 142.63 ( 7.52% of Recip) | FFT back comm time 964.14 (84.77% of FFT t) | Other 173.27 (15.23% of FFT t) | FFT time 1137.41 (59.94% of Recip) | Other 20.24 ( 1.07% of Recip) | Recip Ewald time 1897.59 (38.97% of Ewald) | Force Adjust 132.46 ( 2.72% of Ewald) | Virial junk 437.36 ( 8.98% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 4869.79 (76.93% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6329.75 (74.81% of Force) | Bond/Angle/Dihedral 28.29 ( 0.33% of Force) | FRC Collect time 1796.59 (21.23% of Force) | Other 306.93 ( 3.63% of Force) | Force time 8461.56 (66.59% of Runmd) | Shake time 97.71 ( 0.77% of Runmd) | Verlet update time 978.45 ( 7.70% of Runmd) | Ekcmr time 1066.06 ( 8.39% of Runmd) | CRD distribute time 1787.08 (14.06% of Runmd) | Other 316.43 ( 2.49% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 829.68 (57.13% of List ) | Other 622.59 (42.87% of List ) | List time 1452.27 (22.94% of Nonbo) | Short_ene time 1344.89 (59.91% of Direc) | Other 899.87 (40.09% of Direc) | Direct Ewald time 2244.76 (46.03% of Ewald) | Adjust Ewald time 18.96 ( 0.39% of Ewald) | Fill Bspline coeffs 346.92 (18.21% of Recip) | Fill charge grid 98.44 ( 5.17% of Recip) | Scalar sum 135.12 ( 7.09% of Recip) | Grad sum 141.06 ( 7.40% of Recip) | FFT back comm time 937.19 (81.19% of FFT t) | Other 217.10 (18.81% of FFT t) | FFT time 1154.29 (60.57% of Recip) | Other 29.82 ( 1.56% of Recip) | Recip Ewald time 1905.64 (39.07% of Ewald) | Force Adjust 265.23 ( 5.44% of Ewald) | Virial junk 441.17 ( 9.05% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4877.05 (77.05% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6330.07 (75.27% of Force) | Bond/Angle/Dihedral 29.25 ( 0.35% of Force) | FRC Collect time 1745.27 (20.75% of Force) | Other 305.02 ( 3.63% of Force) | Force time 8409.62 (66.18% of Runmd) | Shake time 102.23 ( 0.80% of Runmd) | Verlet update time 687.73 ( 5.41% of Runmd) | Ekcmr time 2273.36 (17.89% of Runmd) | CRD distribute time 1050.31 ( 8.27% of Runmd) | Other 184.06 ( 1.45% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 827.76 (57.01% of List ) | Other 624.31 (42.99% of List ) | List time 1452.06 (22.94% of Nonbo) | Short_ene time 1499.57 (62.42% of Direc) | Other 902.83 (37.58% of Direc) | Direct Ewald time 2402.40 (49.27% of Ewald) | Adjust Ewald time 18.68 ( 0.38% of Ewald) | Fill Bspline coeffs 354.57 (18.63% of Recip) | Fill charge grid 99.55 ( 5.23% of Recip) | Scalar sum 135.11 ( 7.10% of Recip) | Grad sum 142.79 ( 7.50% of Recip) | FFT back comm time 937.12 (81.95% of FFT t) | Other 206.47 (18.05% of FFT t) | FFT time 1143.59 (60.07% of Recip) | Other 28.02 ( 1.47% of Recip) | Recip Ewald time 1903.63 (39.04% of Ewald) | Force Adjust 109.39 ( 2.24% of Ewald) | Virial junk 440.97 ( 9.04% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4876.40 (77.05% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6329.24 (75.29% of Force) | Bond/Angle/Dihedral 28.61 ( 0.34% of Force) | FRC Collect time 1745.26 (20.76% of Force) | Other 303.56 ( 3.61% of Force) | Force time 8406.67 (66.16% of Runmd) | Shake time 102.71 ( 0.81% of Runmd) | Verlet update time 845.13 ( 6.65% of Runmd) | Ekcmr time 1540.39 (12.12% of Runmd) | CRD distribute time 1509.36 (11.88% of Runmd) | Other 303.05 ( 2.38% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 838.60 (57.85% of List ) | Other 611.01 (42.15% of List ) | List time 1449.61 (22.86% of Nonbo) | Short_ene time 1527.72 (63.96% of Direc) | Other 860.69 (36.04% of Direc) | Direct Ewald time 2388.41 (48.84% of Ewald) | Adjust Ewald time 18.70 ( 0.38% of Ewald) | Fill Bspline coeffs 349.33 (18.21% of Recip) | Fill charge grid 101.75 ( 5.30% of Recip) | Scalar sum 135.10 ( 7.04% of Recip) | Grad sum 141.32 ( 7.37% of Recip) | FFT back comm time 937.53 (80.69% of FFT t) | Other 224.40 (19.31% of FFT t) | FFT time 1161.93 (60.56% of Recip) | Other 29.34 ( 1.53% of Recip) | Recip Ewald time 1918.77 (39.24% of Ewald) | Force Adjust 122.06 ( 2.50% of Ewald) | Virial junk 441.09 ( 9.02% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.76 ( 0.02% of Ewald) | Ewald time 4890.44 (77.13% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6340.86 (75.39% of Force) | Bond/Angle/Dihedral 29.12 ( 0.35% of Force) | FRC Collect time 1744.94 (20.75% of Force) | Other 295.31 ( 3.51% of Force) | Force time 8410.23 (66.18% of Runmd) | Shake time 101.24 ( 0.80% of Runmd) | Verlet update time 765.67 ( 6.03% of Runmd) | Ekcmr time 1829.03 (14.39% of Runmd) | CRD distribute time 1349.53 (10.62% of Runmd) | Other 251.60 ( 1.98% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 827.26 (56.96% of List ) | Other 625.01 (43.04% of List ) | List time 1452.27 (22.94% of Nonbo) | Short_ene time 1355.10 (59.99% of Direc) | Other 903.71 (40.01% of Direc) | Direct Ewald time 2258.81 (46.32% of Ewald) | Adjust Ewald time 18.82 ( 0.39% of Ewald) | Fill Bspline coeffs 358.02 (18.80% of Recip) | Fill charge grid 96.48 ( 5.07% of Recip) | Scalar sum 135.09 ( 7.10% of Recip) | Grad sum 143.14 ( 7.52% of Recip) | FFT back comm time 939.37 (82.08% of FFT t) | Other 205.08 (17.92% of FFT t) | FFT time 1144.46 (60.11% of Recip) | Other 26.69 ( 1.40% of Recip) | Recip Ewald time 1903.89 (39.04% of Ewald) | Force Adjust 253.80 ( 5.20% of Ewald) | Virial junk 440.09 ( 9.02% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 4876.68 (77.04% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6329.76 (75.29% of Force) | Bond/Angle/Dihedral 28.66 ( 0.34% of Force) | FRC Collect time 1744.63 (20.75% of Force) | Other 303.82 ( 3.61% of Force) | Force time 8406.86 (66.16% of Runmd) | Shake time 101.73 ( 0.80% of Runmd) | Verlet update time 918.13 ( 7.23% of Runmd) | Ekcmr time 1255.48 ( 9.88% of Runmd) | CRD distribute time 1762.69 (13.87% of Runmd) | Other 262.42 ( 2.07% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 830.16 (56.75% of List ) | Other 632.76 (43.25% of List ) | List time 1462.92 (23.07% of Nonbo) | Short_ene time 1470.09 (61.77% of Direc) | Other 909.84 (38.23% of Direc) | Direct Ewald time 2379.93 (48.80% of Ewald) | Adjust Ewald time 18.66 ( 0.38% of Ewald) | Fill Bspline coeffs 359.01 (18.84% of Recip) | Fill charge grid 98.15 ( 5.15% of Recip) | Scalar sum 134.78 ( 7.07% of Recip) | Grad sum 144.55 ( 7.59% of Recip) | FFT back comm time 944.32 (82.41% of FFT t) | Other 201.58 (17.59% of FFT t) | FFT time 1145.90 (60.14% of Recip) | Other 23.03 ( 1.21% of Recip) | Recip Ewald time 1905.42 (39.07% of Ewald) | Force Adjust 130.66 ( 2.68% of Ewald) | Virial junk 440.58 ( 9.03% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4876.55 (76.91% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6340.27 (75.38% of Force) | Bond/Angle/Dihedral 29.39 ( 0.35% of Force) | FRC Collect time 1745.63 (20.75% of Force) | Other 295.80 ( 3.52% of Force) | Force time 8411.09 (66.19% of Runmd) | Shake time 100.96 ( 0.79% of Runmd) | Verlet update time 749.28 ( 5.90% of Runmd) | Ekcmr time 1883.74 (14.82% of Runmd) | CRD distribute time 1296.71 (10.20% of Runmd) | Other 265.52 ( 2.09% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 831.00 (57.29% of List ) | Other 619.58 (42.71% of List ) | List time 1450.58 (22.91% of Nonbo) | Short_ene time 1528.28 (63.67% of Direc) | Other 872.17 (36.33% of Direc) | Direct Ewald time 2400.45 (49.18% of Ewald) | Adjust Ewald time 18.78 ( 0.38% of Ewald) | Fill Bspline coeffs 357.87 (18.74% of Recip) | Fill charge grid 94.13 ( 4.93% of Recip) | Scalar sum 134.69 ( 7.05% of Recip) | Grad sum 144.27 ( 7.56% of Recip) | FFT back comm time 946.30 (81.84% of FFT t) | Other 209.92 (18.16% of FFT t) | FFT time 1156.22 (60.55% of Recip) | Other 22.32 ( 1.17% of Recip) | Recip Ewald time 1909.50 (39.12% of Ewald) | Force Adjust 110.98 ( 2.27% of Ewald) | Virial junk 440.43 ( 9.02% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4881.38 (77.08% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6332.74 (75.32% of Force) | Bond/Angle/Dihedral 29.02 ( 0.35% of Force) | FRC Collect time 1745.23 (20.76% of Force) | Other 300.92 ( 3.58% of Force) | Force time 8407.90 (66.17% of Runmd) | Shake time 101.15 ( 0.80% of Runmd) | Verlet update time 841.00 ( 6.62% of Runmd) | Ekcmr time 1435.60 (11.30% of Runmd) | CRD distribute time 1632.82 (12.85% of Runmd) | Other 288.84 ( 2.27% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 829.13 (56.89% of List ) | Other 628.25 (43.11% of List ) | List time 1457.38 (23.00% of Nonbo) | Short_ene time 1367.38 (60.35% of Direc) | Other 898.42 (39.65% of Direc) | Direct Ewald time 2265.81 (46.45% of Ewald) | Adjust Ewald time 18.89 ( 0.39% of Ewald) | Fill Bspline coeffs 364.14 (19.09% of Recip) | Fill charge grid 92.80 ( 4.87% of Recip) | Scalar sum 134.71 ( 7.06% of Recip) | Grad sum 144.65 ( 7.58% of Recip) | FFT back comm time 946.54 (82.37% of FFT t) | Other 202.61 (17.63% of FFT t) | FFT time 1149.15 (60.25% of Recip) | Other 21.81 ( 1.14% of Recip) | Recip Ewald time 1907.26 (39.10% of Ewald) | Force Adjust 246.52 ( 5.05% of Ewald) | Virial junk 438.70 ( 8.99% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4878.43 (76.99% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6336.60 (75.33% of Force) | Bond/Angle/Dihedral 29.29 ( 0.35% of Force) | FRC Collect time 1745.17 (20.75% of Force) | Other 300.76 ( 3.58% of Force) | Force time 8411.82 (66.20% of Runmd) | Shake time 101.48 ( 0.80% of Runmd) | Verlet update time 874.63 ( 6.88% of Runmd) | Ekcmr time 1357.37 (10.68% of Runmd) | CRD distribute time 1692.63 (13.32% of Runmd) | Other 269.38 ( 2.12% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 827.62 (57.30% of List ) | Other 616.81 (42.70% of List ) | List time 1444.43 (22.83% of Nonbo) | Short_ene time 1397.72 (60.35% of Direc) | Other 918.24 (39.65% of Direc) | Direct Ewald time 2315.97 (47.44% of Ewald) | Adjust Ewald time 19.02 ( 0.39% of Ewald) | Fill Bspline coeffs 356.84 (18.69% of Recip) | Fill charge grid 95.16 ( 4.98% of Recip) | Scalar sum 134.60 ( 7.05% of Recip) | Grad sum 145.41 ( 7.61% of Recip) | FFT back comm time 950.86 (82.08% of FFT t) | Other 207.58 (17.92% of FFT t) | FFT time 1158.44 (60.66% of Recip) | Other 19.30 ( 1.01% of Recip) | Recip Ewald time 1909.75 (39.12% of Ewald) | Force Adjust 195.41 ( 4.00% of Ewald) | Virial junk 440.67 ( 9.03% of Ewald) | Start sycnronization 0.37 ( 0.01% of Ewald) | Other 0.63 ( 0.01% of Ewald) | Ewald time 4881.95 (77.16% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6327.13 (75.25% of Force) | Bond/Angle/Dihedral 28.78 ( 0.34% of Force) | FRC Collect time 1744.74 (20.75% of Force) | Other 307.44 ( 3.66% of Force) | Force time 8408.08 (66.17% of Runmd) | Shake time 101.63 ( 0.80% of Runmd) | Verlet update time 907.15 ( 7.14% of Runmd) | Ekcmr time 1264.73 ( 9.95% of Runmd) | CRD distribute time 1812.33 (14.26% of Runmd) | Other 213.38 ( 1.68% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 825.64 (56.74% of List ) | Other 629.59 (43.26% of List ) | List time 1455.23 (22.99% of Nonbo) | Short_ene time 1527.50 (63.78% of Direc) | Other 867.55 (36.22% of Direc) | Direct Ewald time 2395.05 (49.14% of Ewald) | Adjust Ewald time 18.51 ( 0.38% of Ewald) | Fill Bspline coeffs 351.85 (18.51% of Recip) | Fill charge grid 96.14 ( 5.06% of Recip) | Scalar sum 135.08 ( 7.11% of Recip) | Grad sum 147.03 ( 7.73% of Recip) | FFT back comm time 947.54 (82.05% of FFT t) | Other 207.29 (17.95% of FFT t) | FFT time 1154.83 (60.75% of Recip) | Other 16.14 ( 0.85% of Recip) | Recip Ewald time 1901.07 (39.01% of Ewald) | Force Adjust 118.15 ( 2.42% of Ewald) | Virial junk 439.93 ( 9.03% of Ewald) | Start sycnronization 0.36 ( 0.01% of Ewald) | Other 0.65 ( 0.01% of Ewald) | Ewald time 4873.87 (77.00% of Nonbo) | Other 0.58 ( 0.01% of Nonbo) | Nonbond force 6329.78 (76.17% of Force) | Bond/Angle/Dihedral 29.40 ( 0.35% of Force) | FRC Collect time 1645.93 (19.81% of Force) | Other 304.42 ( 3.66% of Force) | Force time 8309.53 (65.39% of Runmd) | Shake time 100.56 ( 0.79% of Runmd) | Verlet update time 802.04 ( 6.31% of Runmd) | Ekcmr time 2205.27 (17.35% of Runmd) | CRD distribute time 1076.04 ( 8.47% of Runmd) | Other 213.86 ( 1.68% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 823.81 (56.55% of List ) | Other 632.89 (43.45% of List ) | List time 1456.70 (23.05% of Nonbo) | Short_ene time 1349.95 (59.88% of Direc) | Other 904.40 (40.12% of Direc) | Direct Ewald time 2254.35 (46.35% of Ewald) | Adjust Ewald time 19.11 ( 0.39% of Ewald) | Fill Bspline coeffs 354.33 (18.76% of Recip) | Fill charge grid 95.84 ( 5.07% of Recip) | Scalar sum 135.13 ( 7.15% of Recip) | Grad sum 150.29 ( 7.96% of Recip) | FFT back comm time 947.60 (83.05% of FFT t) | Other 193.38 (16.95% of FFT t) | FFT time 1140.98 (60.39% of Recip) | Other 12.66 ( 0.67% of Recip) | Recip Ewald time 1889.23 (38.84% of Ewald) | Force Adjust 266.44 ( 5.48% of Ewald) | Virial junk 433.25 ( 8.91% of Ewald) | Start sycnronization 0.37 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4863.60 (76.94% of Nonbo) | Other 0.62 ( 0.01% of Nonbo) | Nonbond force 6321.01 (76.09% of Force) | Bond/Angle/Dihedral 29.24 ( 0.35% of Force) | FRC Collect time 1646.04 (19.82% of Force) | Other 310.53 ( 3.74% of Force) | Force time 8306.82 (65.37% of Runmd) | Shake time 102.45 ( 0.81% of Runmd) | Verlet update time 891.54 ( 7.02% of Runmd) | Ekcmr time 1753.96 (13.80% of Runmd) | CRD distribute time 1375.74 (10.83% of Runmd) | Other 276.79 ( 2.18% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 828.33 (57.23% of List ) | Other 618.92 (42.77% of List ) | List time 1447.25 (22.87% of Nonbo) | Short_ene time 1417.90 (60.99% of Direc) | Other 906.89 (39.01% of Direc) | Direct Ewald time 2324.79 (47.64% of Ewald) | Adjust Ewald time 18.74 ( 0.38% of Ewald) | Fill Bspline coeffs 354.41 (18.58% of Recip) | Fill charge grid 102.47 ( 5.37% of Recip) | Scalar sum 135.14 ( 7.09% of Recip) | Grad sum 149.89 ( 7.86% of Recip) | FFT back comm time 948.06 (82.31% of FFT t) | Other 203.81 (17.69% of FFT t) | FFT time 1151.87 (60.40% of Recip) | Other 13.34 ( 0.70% of Recip) | Recip Ewald time 1907.13 (39.08% of Ewald) | Force Adjust 191.69 ( 3.93% of Ewald) | Virial junk 436.33 ( 8.94% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.74 ( 0.02% of Ewald) | Ewald time 4880.06 (77.12% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6328.10 (76.15% of Force) | Bond/Angle/Dihedral 29.61 ( 0.36% of Force) | FRC Collect time 1645.03 (19.80% of Force) | Other 307.24 ( 3.70% of Force) | Force time 8309.98 (65.40% of Runmd) | Shake time 102.65 ( 0.81% of Runmd) | Verlet update time 889.17 ( 7.00% of Runmd) | Ekcmr time 1861.34 (14.65% of Runmd) | CRD distribute time 1278.85 (10.06% of Runmd) | Other 265.32 ( 2.09% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 824.80 (56.53% of List ) | Other 634.34 (43.47% of List ) | List time 1459.14 (23.05% of Nonbo) | Short_ene time 1501.09 (62.72% of Direc) | Other 892.40 (37.28% of Direc) | Direct Ewald time 2393.49 (49.14% of Ewald) | Adjust Ewald time 18.43 ( 0.38% of Ewald) | Fill Bspline coeffs 353.63 (18.64% of Recip) | Fill charge grid 100.08 ( 5.28% of Recip) | Scalar sum 135.02 ( 7.12% of Recip) | Grad sum 150.27 ( 7.92% of Recip) | FFT back comm time 949.03 (82.87% of FFT t) | Other 196.17 (17.13% of FFT t) | FFT time 1145.21 (60.37% of Recip) | Other 12.85 ( 0.68% of Recip) | Recip Ewald time 1897.06 (38.95% of Ewald) | Force Adjust 127.29 ( 2.61% of Ewald) | Virial junk 433.28 ( 8.90% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4870.90 (76.94% of Nonbo) | Other 0.73 ( 0.01% of Nonbo) | Nonbond force 6330.88 (76.22% of Force) | Bond/Angle/Dihedral 29.65 ( 0.36% of Force) | FRC Collect time 1644.79 (19.80% of Force) | Other 300.57 ( 3.62% of Force) | Force time 8305.90 (65.36% of Runmd) | Shake time 102.98 ( 0.81% of Runmd) | Verlet update time 1004.83 ( 7.91% of Runmd) | Ekcmr time 1291.42 (10.16% of Runmd) | CRD distribute time 1768.62 (13.92% of Runmd) | Other 233.57 ( 1.84% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 832.38 (57.30% of List ) | Other 620.30 (42.70% of List ) | List time 1452.68 (22.92% of Nonbo) | Short_ene time 1358.02 (59.89% of Direc) | Other 909.46 (40.11% of Direc) | Direct Ewald time 2267.48 (46.43% of Ewald) | Adjust Ewald time 18.98 ( 0.39% of Ewald) | Fill Bspline coeffs 354.21 (18.54% of Recip) | Fill charge grid 104.38 ( 5.46% of Recip) | Scalar sum 134.85 ( 7.06% of Recip) | Grad sum 150.02 ( 7.85% of Recip) | FFT back comm time 950.95 (82.39% of FFT t) | Other 203.24 (17.61% of FFT t) | FFT time 1154.18 (60.43% of Recip) | Other 12.37 ( 0.65% of Recip) | Recip Ewald time 1910.02 (39.11% of Ewald) | Force Adjust 248.51 ( 5.09% of Ewald) | Virial junk 437.28 ( 8.95% of Ewald) | Start sycnronization 0.52 ( 0.01% of Ewald) | Other 0.78 ( 0.02% of Ewald) | Ewald time 4883.75 (77.06% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6337.25 (76.24% of Force) | Bond/Angle/Dihedral 29.51 ( 0.36% of Force) | FRC Collect time 1647.28 (19.82% of Force) | Other 297.94 ( 3.58% of Force) | Force time 8311.99 (65.41% of Runmd) | Shake time 100.27 ( 0.79% of Runmd) | Verlet update time 900.19 ( 7.08% of Runmd) | Ekcmr time 1778.81 (14.00% of Runmd) | CRD distribute time 1336.85 (10.52% of Runmd) | Other 279.19 ( 2.20% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 830.10 (57.20% of List ) | Other 621.24 (42.80% of List ) | List time 1451.35 (22.91% of Nonbo) | Short_ene time 1359.46 (59.89% of Direc) | Other 910.50 (40.11% of Direc) | Direct Ewald time 2269.96 (46.49% of Ewald) | Adjust Ewald time 19.29 ( 0.40% of Ewald) | Fill Bspline coeffs 351.10 (18.40% of Recip) | Fill charge grid 100.73 ( 5.28% of Recip) | Scalar sum 134.88 ( 7.07% of Recip) | Grad sum 149.90 ( 7.86% of Recip) | FFT back comm time 952.49 (82.10% of FFT t) | Other 207.68 (17.90% of FFT t) | FFT time 1160.18 (60.81% of Recip) | Other 11.16 ( 0.59% of Recip) | Recip Ewald time 1907.94 (39.08% of Ewald) | Force Adjust 249.47 ( 5.11% of Ewald) | Virial junk 434.72 ( 8.90% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4882.69 (77.08% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6334.84 (76.25% of Force) | Bond/Angle/Dihedral 29.00 ( 0.35% of Force) | FRC Collect time 1646.99 (19.82% of Force) | Other 297.57 ( 3.58% of Force) | Force time 8308.40 (65.38% of Runmd) | Shake time 100.41 ( 0.79% of Runmd) | Verlet update time 944.15 ( 7.43% of Runmd) | Ekcmr time 1366.41 (10.75% of Runmd) | CRD distribute time 1699.04 (13.37% of Runmd) | Other 288.89 ( 2.27% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 829.29 (56.75% of List ) | Other 631.92 (43.25% of List ) | List time 1461.21 (23.03% of Nonbo) | Short_ene time 1441.09 (61.61% of Direc) | Other 898.02 (38.39% of Direc) | Direct Ewald time 2339.11 (47.91% of Ewald) | Adjust Ewald time 19.11 ( 0.39% of Ewald) | Fill Bspline coeffs 348.24 (18.24% of Recip) | Fill charge grid 102.97 ( 5.39% of Recip) | Scalar sum 134.79 ( 7.06% of Recip) | Grad sum 149.93 ( 7.85% of Recip) | FFT back comm time 954.27 (82.01% of FFT t) | Other 209.26 (17.99% of FFT t) | FFT time 1163.53 (60.93% of Recip) | Other 10.12 ( 0.53% of Recip) | Recip Ewald time 1909.58 (39.11% of Ewald) | Force Adjust 175.92 ( 3.60% of Ewald) | Virial junk 437.54 ( 8.96% of Ewald) | Start sycnronization 0.46 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4882.61 (76.96% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6344.66 (76.34% of Force) | Bond/Angle/Dihedral 29.35 ( 0.35% of Force) | FRC Collect time 1644.47 (19.79% of Force) | Other 292.03 ( 3.51% of Force) | Force time 8310.51 (65.40% of Runmd) | Shake time 102.20 ( 0.80% of Runmd) | Verlet update time 972.21 ( 7.65% of Runmd) | Ekcmr time 1303.11 (10.25% of Runmd) | CRD distribute time 1752.31 (13.79% of Runmd) | Other 266.94 ( 2.10% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 832.00 (57.44% of List ) | Other 616.57 (42.56% of List ) | List time 1448.57 (22.87% of Nonbo) | Short_ene time 1365.31 (60.21% of Direc) | Other 902.34 (39.79% of Direc) | Direct Ewald time 2267.66 (46.42% of Ewald) | Adjust Ewald time 18.69 ( 0.38% of Ewald) | Fill Bspline coeffs 348.24 (18.22% of Recip) | Fill charge grid 100.36 ( 5.25% of Recip) | Scalar sum 134.67 ( 7.05% of Recip) | Grad sum 149.21 ( 7.81% of Recip) | FFT back comm time 955.79 (81.83% of FFT t) | Other 212.28 (18.17% of FFT t) | FFT time 1168.07 (61.12% of Recip) | Other 10.46 ( 0.55% of Recip) | Recip Ewald time 1911.01 (39.12% of Ewald) | Force Adjust 252.96 ( 5.18% of Ewald) | Virial junk 433.18 ( 8.87% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4884.74 (77.12% of Nonbo) | Other 0.60 ( 0.01% of Nonbo) | Nonbond force 6334.02 (76.25% of Force) | Bond/Angle/Dihedral 29.11 ( 0.35% of Force) | FRC Collect time 1644.20 (19.79% of Force) | Other 299.30 ( 3.60% of Force) | Force time 8306.63 (65.37% of Runmd) | Shake time 102.30 ( 0.81% of Runmd) | Verlet update time 1005.05 ( 7.91% of Runmd) | Ekcmr time 1218.67 ( 9.59% of Runmd) | CRD distribute time 1846.73 (14.53% of Runmd) | Other 227.92 ( 1.79% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 829.80 (57.10% of List ) | Other 623.55 (42.90% of List ) | List time 1453.35 (22.96% of Nonbo) | Short_ene time 1342.36 (59.75% of Direc) | Other 904.43 (40.25% of Direc) | Direct Ewald time 2246.79 (46.08% of Ewald) | Adjust Ewald time 19.16 ( 0.39% of Ewald) | Fill Bspline coeffs 344.54 (18.09% of Recip) | Fill charge grid 90.55 ( 4.75% of Recip) | Scalar sum 134.57 ( 7.07% of Recip) | Grad sum 127.79 ( 6.71% of Recip) | FFT back comm time 943.98 (80.62% of FFT t) | Other 226.88 (19.38% of FFT t) | FFT time 1170.86 (61.48% of Recip) | Other 36.23 ( 1.90% of Recip) | Recip Ewald time 1904.53 (39.06% of Ewald) | Force Adjust 268.91 ( 5.51% of Ewald) | Virial junk 435.56 ( 8.93% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 4876.22 (77.03% of Nonbo) | Other 0.60 ( 0.01% of Nonbo) | Nonbond force 6330.29 (76.18% of Force) | Bond/Angle/Dihedral 29.51 ( 0.36% of Force) | FRC Collect time 1646.57 (19.82% of Force) | Other 302.85 ( 3.64% of Force) | Force time 8309.21 (65.39% of Runmd) | Shake time 101.95 ( 0.80% of Runmd) | Verlet update time 843.46 ( 6.64% of Runmd) | Ekcmr time 1984.48 (15.62% of Runmd) | CRD distribute time 1202.76 ( 9.47% of Runmd) | Other 265.44 ( 2.09% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 829.98 (57.03% of List ) | Other 625.45 (42.97% of List ) | List time 1455.43 (22.97% of Nonbo) | Short_ene time 1385.38 (60.52% of Direc) | Other 903.87 (39.48% of Direc) | Direct Ewald time 2289.25 (46.92% of Ewald) | Adjust Ewald time 18.88 ( 0.39% of Ewald) | Fill Bspline coeffs 344.07 (18.05% of Recip) | Fill charge grid 89.04 ( 4.67% of Recip) | Scalar sum 134.61 ( 7.06% of Recip) | Grad sum 126.89 ( 6.66% of Recip) | FFT back comm time 943.01 (80.31% of FFT t) | Other 231.26 (19.69% of FFT t) | FFT time 1174.27 (61.61% of Recip) | Other 36.99 ( 1.94% of Recip) | Recip Ewald time 1905.88 (39.06% of Ewald) | Force Adjust 232.23 ( 4.76% of Ewald) | Virial junk 431.44 ( 8.84% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4878.96 (77.01% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6335.22 (76.27% of Force) | Bond/Angle/Dihedral 29.31 ( 0.35% of Force) | FRC Collect time 1646.60 (19.82% of Force) | Other 294.95 ( 3.55% of Force) | Force time 8306.07 (65.36% of Runmd) | Shake time 101.81 ( 0.80% of Runmd) | Verlet update time 946.38 ( 7.45% of Runmd) | Ekcmr time 1704.37 (13.41% of Runmd) | CRD distribute time 1331.70 (10.48% of Runmd) | Other 316.98 ( 2.49% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 833.04 (57.27% of List ) | Other 621.67 (42.73% of List ) | List time 1454.70 (22.96% of Nonbo) | Short_ene time 1372.28 (60.64% of Direc) | Other 890.85 (39.36% of Direc) | Direct Ewald time 2263.13 (46.36% of Ewald) | Adjust Ewald time 18.93 ( 0.39% of Ewald) | Fill Bspline coeffs 323.29 (16.93% of Recip) | Fill charge grid 64.65 ( 3.39% of Recip) | Scalar sum 67.97 ( 3.56% of Recip) | Grad sum 96.17 ( 5.04% of Recip) | FFT back comm time 943.26 (74.57% of FFT t) | Other 321.73 (25.43% of FFT t) | FFT time 1264.99 (66.25% of Recip) | Other 92.44 ( 4.84% of Recip) | Recip Ewald time 1909.50 (39.12% of Ewald) | Force Adjust 254.82 ( 5.22% of Ewald) | Virial junk 433.68 ( 8.88% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 4881.42 (77.03% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6336.96 (76.25% of Force) | Bond/Angle/Dihedral 29.72 ( 0.36% of Force) | FRC Collect time 1646.68 (19.81% of Force) | Other 297.06 ( 3.57% of Force) | Force time 8310.41 (65.40% of Runmd) | Shake time 101.82 ( 0.80% of Runmd) | Verlet update time 901.86 ( 7.10% of Runmd) | Ekcmr time 1851.90 (14.57% of Runmd) | CRD distribute time 1250.34 ( 9.84% of Runmd) | Other 290.97 ( 2.29% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 827.05 (57.36% of List ) | Other 614.75 (42.64% of List ) | List time 1441.80 (22.82% of Nonbo) | Short_ene time 1328.64 (59.33% of Direc) | Other 910.67 (40.67% of Direc) | Direct Ewald time 2239.31 (45.93% of Ewald) | Adjust Ewald time 18.90 ( 0.39% of Ewald) | Fill Bspline coeffs 321.62 (16.91% of Recip) | Fill charge grid 64.90 ( 3.41% of Recip) | Scalar sum 67.98 ( 3.58% of Recip) | Grad sum 98.08 ( 5.16% of Recip) | FFT back comm time 944.62 (75.02% of FFT t) | Other 314.51 (24.98% of FFT t) | FFT time 1259.13 (66.22% of Recip) | Other 89.74 ( 4.72% of Recip) | Recip Ewald time 1901.45 (39.00% of Ewald) | Force Adjust 283.69 ( 5.82% of Ewald) | Virial junk 430.42 ( 8.83% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4875.00 (77.17% of Nonbo) | Other 0.63 ( 0.01% of Nonbo) | Nonbond force 6317.54 (76.06% of Force) | Bond/Angle/Dihedral 29.19 ( 0.35% of Force) | FRC Collect time 1646.40 (19.82% of Force) | Other 313.38 ( 3.77% of Force) | Force time 8306.51 (65.37% of Runmd) | Shake time 102.62 ( 0.81% of Runmd) | Verlet update time 968.74 ( 7.62% of Runmd) | Ekcmr time 1330.99 (10.47% of Runmd) | CRD distribute time 1752.31 (13.79% of Runmd) | Other 246.13 ( 1.94% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 829.29 (57.23% of List ) | Other 619.73 (42.77% of List ) | List time 1449.03 (22.89% of Nonbo) | Short_ene time 1358.47 (60.54% of Direc) | Other 885.55 (39.46% of Direc) | Direct Ewald time 2244.02 (45.99% of Ewald) | Adjust Ewald time 18.73 ( 0.38% of Ewald) | Fill Bspline coeffs 317.46 (16.64% of Recip) | Fill charge grid 66.08 ( 3.46% of Recip) | Scalar sum 67.90 ( 3.56% of Recip) | Grad sum 97.27 ( 5.10% of Recip) | FFT back comm time 947.69 (74.61% of FFT t) | Other 322.44 (25.39% of FFT t) | FFT time 1270.14 (66.57% of Recip) | Other 89.20 ( 4.67% of Recip) | Recip Ewald time 1908.05 (39.10% of Ewald) | Force Adjust 273.33 ( 5.60% of Ewald) | Virial junk 434.48 ( 8.90% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4879.81 (77.10% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6329.61 (76.16% of Force) | Bond/Angle/Dihedral 29.49 ( 0.35% of Force) | FRC Collect time 1647.96 (19.83% of Force) | Other 304.19 ( 3.66% of Force) | Force time 8311.24 (65.41% of Runmd) | Shake time 100.20 ( 0.79% of Runmd) | Verlet update time 879.98 ( 6.93% of Runmd) | Ekcmr time 1903.86 (14.98% of Runmd) | CRD distribute time 1210.13 ( 9.52% of Runmd) | Other 301.88 ( 2.38% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 825.94 (56.27% of List ) | Other 641.77 (43.73% of List ) | List time 1467.71 (23.16% of Nonbo) | Short_ene time 1365.40 (59.88% of Direc) | Other 914.94 (40.12% of Direc) | Direct Ewald time 2280.35 (46.83% of Ewald) | Adjust Ewald time 19.28 ( 0.40% of Ewald) | Fill Bspline coeffs 320.77 (16.91% of Recip) | Fill charge grid 62.47 ( 3.29% of Recip) | Scalar sum 67.91 ( 3.58% of Recip) | Grad sum 98.06 ( 5.17% of Recip) | FFT back comm time 949.65 (75.35% of FFT t) | Other 310.64 (24.65% of FFT t) | FFT time 1260.29 (66.45% of Recip) | Other 87.20 ( 4.60% of Recip) | Recip Ewald time 1896.69 (38.95% of Ewald) | Force Adjust 241.29 ( 4.96% of Ewald) | Virial junk 430.19 ( 8.84% of Ewald) | Start sycnronization 0.37 ( 0.01% of Ewald) | Other 0.66 ( 0.01% of Ewald) | Ewald time 4868.98 (76.83% of Nonbo) | Other 0.65 ( 0.01% of Nonbo) | Nonbond force 6337.44 (76.28% of Force) | Bond/Angle/Dihedral 30.02 ( 0.36% of Force) | FRC Collect time 1647.63 (19.83% of Force) | Other 293.26 ( 3.53% of Force) | Force time 8308.35 (65.38% of Runmd) | Shake time 102.24 ( 0.80% of Runmd) | Verlet update time 955.81 ( 7.52% of Runmd) | Ekcmr time 1467.60 (11.55% of Runmd) | CRD distribute time 1598.87 (12.58% of Runmd) | Other 274.42 ( 2.16% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 831.54 (57.24% of List ) | Other 621.19 (42.76% of List ) | List time 1452.73 (22.93% of Nonbo) | Short_ene time 1317.11 (58.97% of Direc) | Other 916.48 (41.03% of Direc) | Direct Ewald time 2233.59 (45.74% of Ewald) | Adjust Ewald time 17.89 ( 0.37% of Ewald) | Fill Bspline coeffs 316.16 (16.54% of Recip) | Fill charge grid 67.79 ( 3.55% of Recip) | Scalar sum 67.69 ( 3.54% of Recip) | Grad sum 98.90 ( 5.17% of Recip) | FFT back comm time 951.18 (74.58% of FFT t) | Other 324.19 (25.42% of FFT t) | FFT time 1275.37 (66.71% of Recip) | Other 86.03 ( 4.50% of Recip) | Recip Ewald time 1911.94 (39.16% of Ewald) | Force Adjust 286.05 ( 5.86% of Ewald) | Virial junk 432.26 ( 8.85% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.66 ( 0.01% of Ewald) | Ewald time 4882.90 (77.06% of Nonbo) | Other 0.63 ( 0.01% of Nonbo) | Nonbond force 6336.38 (76.24% of Force) | Bond/Angle/Dihedral 29.93 ( 0.36% of Force) | FRC Collect time 1646.46 (19.81% of Force) | Other 298.79 ( 3.59% of Force) | Force time 8311.56 (65.41% of Runmd) | Shake time 101.14 ( 0.80% of Runmd) | Verlet update time 987.82 ( 7.77% of Runmd) | Ekcmr time 1361.69 (10.72% of Runmd) | CRD distribute time 1708.49 (13.44% of Runmd) | Other 236.60 ( 1.86% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 832.10 (57.79% of List ) | Other 607.83 (42.21% of List ) | List time 1439.93 (22.76% of Nonbo) | Short_ene time 1333.17 (59.55% of Direc) | Other 905.40 (40.45% of Direc) | Direct Ewald time 2238.57 (45.82% of Ewald) | Adjust Ewald time 17.49 ( 0.36% of Ewald) | Fill Bspline coeffs 321.37 (16.80% of Recip) | Fill charge grid 67.05 ( 3.51% of Recip) | Scalar sum 67.57 ( 3.53% of Recip) | Grad sum 100.41 ( 5.25% of Recip) | FFT back comm time 952.31 (74.86% of FFT t) | Other 319.83 (25.14% of FFT t) | FFT time 1272.14 (66.50% of Recip) | Other 84.37 ( 4.41% of Recip) | Recip Ewald time 1912.92 (39.16% of Ewald) | Force Adjust 285.97 ( 5.85% of Ewald) | Virial junk 429.21 ( 8.79% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4885.49 (77.23% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6326.26 (76.15% of Force) | Bond/Angle/Dihedral 30.11 ( 0.36% of Force) | FRC Collect time 1646.17 (19.81% of Force) | Other 305.37 ( 3.68% of Force) | Force time 8307.90 (65.38% of Runmd) | Shake time 102.38 ( 0.81% of Runmd) | Verlet update time 1019.94 ( 8.03% of Runmd) | Ekcmr time 1194.89 ( 9.40% of Runmd) | CRD distribute time 1855.52 (14.60% of Runmd) | Other 226.67 ( 1.78% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 32 | Build the list 825.89 (56.38% of List ) | Other 638.95 (43.62% of List ) | List time 1464.84 (23.13% of Nonbo) | Short_ene time 1348.58 (59.60% of Direc) | Other 913.97 (40.40% of Direc) | Direct Ewald time 2262.55 (46.49% of Ewald) | Adjust Ewald time 17.18 ( 0.35% of Ewald) | Fill Bspline coeffs 324.89 (17.12% of Recip) | Fill charge grid 60.32 ( 3.18% of Recip) | Scalar sum 68.04 ( 3.59% of Recip) | Grad sum 99.27 ( 5.23% of Recip) | FFT back comm time 946.06 (75.40% of FFT t) | Other 308.60 (24.60% of FFT t) | FFT time 1254.66 (66.12% of Recip) | Other 90.42 ( 4.77% of Recip) | Recip Ewald time 1897.61 (38.99% of Ewald) | Force Adjust 256.32 ( 5.27% of Ewald) | Virial junk 431.38 ( 8.86% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4866.32 (76.85% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6331.97 (77.70% of Force) | Bond/Angle/Dihedral 30.67 ( 0.38% of Force) | FRC Collect time 1482.83 (18.20% of Force) | Other 303.65 ( 3.73% of Force) | Force time 8149.12 (64.13% of Runmd) | Shake time 102.98 ( 0.81% of Runmd) | Verlet update time 1093.63 ( 8.61% of Runmd) | Ekcmr time 1485.10 (11.69% of Runmd) | CRD distribute time 1489.56 (11.72% of Runmd) | Other 386.93 ( 3.04% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.46 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 33 | Build the list 828.37 (57.10% of List ) | Other 622.33 (42.90% of List ) | List time 1450.71 (22.92% of Nonbo) | Short_ene time 1327.77 (59.26% of Direc) | Other 912.95 (40.74% of Direc) | Direct Ewald time 2240.72 (45.94% of Ewald) | Adjust Ewald time 17.33 ( 0.36% of Ewald) | Fill Bspline coeffs 319.08 (16.73% of Recip) | Fill charge grid 61.02 ( 3.20% of Recip) | Scalar sum 67.92 ( 3.56% of Recip) | Grad sum 99.86 ( 5.24% of Recip) | FFT back comm time 948.92 (74.67% of FFT t) | Other 321.88 (25.33% of FFT t) | FFT time 1270.81 (66.64% of Recip) | Other 88.27 ( 4.63% of Recip) | Recip Ewald time 1906.96 (39.10% of Ewald) | Force Adjust 282.49 ( 5.79% of Ewald) | Virial junk 428.54 ( 8.79% of Ewald) | Start sycnronization 0.36 ( 0.01% of Ewald) | Other 0.66 ( 0.01% of Ewald) | Ewald time 4877.23 (77.07% of Nonbo) | Other 0.56 ( 0.01% of Nonbo) | Nonbond force 6328.60 (77.68% of Force) | Bond/Angle/Dihedral 29.94 ( 0.37% of Force) | FRC Collect time 1482.87 (18.20% of Force) | Other 305.80 ( 3.75% of Force) | Force time 8147.22 (64.11% of Runmd) | Shake time 100.39 ( 0.79% of Runmd) | Verlet update time 1113.74 ( 8.76% of Runmd) | Ekcmr time 1382.27 (10.88% of Runmd) | CRD distribute time 1580.65 (12.44% of Runmd) | Other 383.04 ( 3.01% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 34 | Build the list 825.54 (56.68% of List ) | Other 630.94 (43.32% of List ) | List time 1456.48 (23.02% of Nonbo) | Short_ene time 1336.88 (59.54% of Direc) | Other 908.60 (40.46% of Direc) | Direct Ewald time 2245.48 (46.10% of Ewald) | Adjust Ewald time 17.41 ( 0.36% of Ewald) | Fill Bspline coeffs 322.93 (16.98% of Recip) | Fill charge grid 60.99 ( 3.21% of Recip) | Scalar sum 67.90 ( 3.57% of Recip) | Grad sum 101.25 ( 5.32% of Recip) | FFT back comm time 950.53 (75.27% of FFT t) | Other 312.25 (24.73% of FFT t) | FFT time 1262.78 (66.39% of Recip) | Other 86.30 ( 4.54% of Recip) | Recip Ewald time 1902.15 (39.05% of Ewald) | Force Adjust 275.81 ( 5.66% of Ewald) | Virial junk 428.88 ( 8.80% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4870.96 (76.97% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6328.24 (77.65% of Force) | Bond/Angle/Dihedral 30.61 ( 0.38% of Force) | FRC Collect time 1482.69 (18.19% of Force) | Other 308.67 ( 3.79% of Force) | Force time 8150.20 (64.14% of Runmd) | Shake time 101.69 ( 0.80% of Runmd) | Verlet update time 1154.49 ( 9.09% of Runmd) | Ekcmr time 1343.82 (10.58% of Runmd) | CRD distribute time 1552.56 (12.22% of Runmd) | Other 404.54 ( 3.18% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 35 | Build the list 831.79 (57.42% of List ) | Other 616.85 (42.58% of List ) | List time 1448.64 (22.89% of Nonbo) | Short_ene time 1339.72 (59.80% of Direc) | Other 900.45 (40.20% of Direc) | Direct Ewald time 2240.18 (45.91% of Ewald) | Adjust Ewald time 17.31 ( 0.35% of Ewald) | Fill Bspline coeffs 318.88 (16.71% of Recip) | Fill charge grid 63.71 ( 3.34% of Recip) | Scalar sum 67.85 ( 3.55% of Recip) | Grad sum 101.66 ( 5.33% of Recip) | FFT back comm time 950.97 (74.84% of FFT t) | Other 319.71 (25.16% of FFT t) | FFT time 1270.68 (66.57% of Recip) | Other 85.88 ( 4.50% of Recip) | Recip Ewald time 1908.66 (39.12% of Ewald) | Force Adjust 284.36 ( 5.83% of Ewald) | Virial junk 427.27 ( 8.76% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 4879.10 (77.10% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6328.54 (77.68% of Force) | Bond/Angle/Dihedral 30.15 ( 0.37% of Force) | FRC Collect time 1482.61 (18.20% of Force) | Other 305.92 ( 3.75% of Force) | Force time 8147.22 (64.11% of Runmd) | Shake time 101.05 ( 0.80% of Runmd) | Verlet update time 1277.88 (10.06% of Runmd) | Ekcmr time 1057.88 ( 8.33% of Runmd) | CRD distribute time 1769.14 (13.92% of Runmd) | Other 354.14 ( 2.79% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 36 | Build the list 828.00 (56.70% of List ) | Other 632.36 (43.30% of List ) | List time 1460.36 (23.06% of Nonbo) | Short_ene time 1332.26 (59.03% of Direc) | Other 924.50 (40.97% of Direc) | Direct Ewald time 2256.76 (46.32% of Ewald) | Adjust Ewald time 17.28 ( 0.35% of Ewald) | Fill Bspline coeffs 324.74 (17.05% of Recip) | Fill charge grid 62.36 ( 3.27% of Recip) | Scalar sum 67.78 ( 3.56% of Recip) | Grad sum 101.91 ( 5.35% of Recip) | FFT back comm time 956.76 (75.68% of FFT t) | Other 307.53 (24.32% of FFT t) | FFT time 1264.29 (66.40% of Recip) | Other 83.05 ( 4.36% of Recip) | Recip Ewald time 1904.13 (39.08% of Ewald) | Force Adjust 262.97 ( 5.40% of Ewald) | Virial junk 430.16 ( 8.83% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4872.56 (76.93% of Nonbo) | Other 0.62 ( 0.01% of Nonbo) | Nonbond force 6333.65 (77.71% of Force) | Bond/Angle/Dihedral 30.64 ( 0.38% of Force) | FRC Collect time 1482.87 (18.19% of Force) | Other 302.94 ( 3.72% of Force) | Force time 8150.09 (64.14% of Runmd) | Shake time 102.40 ( 0.81% of Runmd) | Verlet update time 1143.39 ( 9.00% of Runmd) | Ekcmr time 1325.19 (10.43% of Runmd) | CRD distribute time 1589.87 (12.51% of Runmd) | Other 396.37 ( 3.12% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 37 | Build the list 827.40 (56.80% of List ) | Other 629.25 (43.20% of List ) | List time 1456.65 (23.01% of Nonbo) | Short_ene time 1334.24 (59.49% of Direc) | Other 908.74 (40.51% of Direc) | Direct Ewald time 2242.97 (46.04% of Ewald) | Adjust Ewald time 17.46 ( 0.36% of Ewald) | Fill Bspline coeffs 323.84 (17.03% of Recip) | Fill charge grid 64.06 ( 3.37% of Recip) | Scalar sum 67.63 ( 3.56% of Recip) | Grad sum 103.57 ( 5.45% of Recip) | FFT back comm time 956.55 (75.85% of FFT t) | Other 304.48 (24.15% of FFT t) | FFT time 1261.03 (66.32% of Recip) | Other 81.41 ( 4.28% of Recip) | Recip Ewald time 1901.55 (39.03% of Ewald) | Force Adjust 281.82 ( 5.78% of Ewald) | Virial junk 426.76 ( 8.76% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4871.85 (76.97% of Nonbo) | Other 0.71 ( 0.01% of Nonbo) | Nonbond force 6329.33 (77.69% of Force) | Bond/Angle/Dihedral 29.82 ( 0.37% of Force) | FRC Collect time 1482.68 (18.20% of Force) | Other 305.52 ( 3.75% of Force) | Force time 8147.34 (64.12% of Runmd) | Shake time 103.25 ( 0.81% of Runmd) | Verlet update time 1273.08 (10.02% of Runmd) | Ekcmr time 1100.82 ( 8.66% of Runmd) | CRD distribute time 1722.64 (13.56% of Runmd) | Other 360.17 ( 2.83% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 38 | Build the list 832.28 (57.01% of List ) | Other 627.48 (42.99% of List ) | List time 1459.76 (23.03% of Nonbo) | Short_ene time 1338.43 (59.40% of Direc) | Other 914.97 (40.60% of Direc) | Direct Ewald time 2253.40 (46.18% of Ewald) | Adjust Ewald time 17.29 ( 0.35% of Ewald) | Fill Bspline coeffs 320.79 (16.79% of Recip) | Fill charge grid 64.78 ( 3.39% of Recip) | Scalar sum 67.58 ( 3.54% of Recip) | Grad sum 101.59 ( 5.32% of Recip) | FFT back comm time 958.16 (75.26% of FFT t) | Other 314.99 (24.74% of FFT t) | FFT time 1273.15 (66.63% of Recip) | Other 82.88 ( 4.34% of Recip) | Recip Ewald time 1910.77 (39.16% of Ewald) | Force Adjust 267.92 ( 5.49% of Ewald) | Virial junk 428.54 ( 8.78% of Ewald) | Start sycnronization 0.48 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 4879.27 (76.96% of Nonbo) | Other 0.72 ( 0.01% of Nonbo) | Nonbond force 6339.88 (77.78% of Force) | Bond/Angle/Dihedral 30.57 ( 0.38% of Force) | FRC Collect time 1482.98 (18.19% of Force) | Other 297.60 ( 3.65% of Force) | Force time 8151.04 (64.14% of Runmd) | Shake time 100.96 ( 0.79% of Runmd) | Verlet update time 1278.60 (10.06% of Runmd) | Ekcmr time 1058.58 ( 8.33% of Runmd) | CRD distribute time 1766.56 (13.90% of Runmd) | Other 351.56 ( 2.77% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 39 | Build the list 830.76 (57.46% of List ) | Other 615.05 (42.54% of List ) | List time 1445.80 (22.82% of Nonbo) | Short_ene time 1343.48 (59.67% of Direc) | Other 908.03 (40.33% of Direc) | Direct Ewald time 2251.51 (46.06% of Ewald) | Adjust Ewald time 17.27 ( 0.35% of Ewald) | Fill Bspline coeffs 320.68 (16.72% of Recip) | Fill charge grid 65.01 ( 3.39% of Recip) | Scalar sum 67.48 ( 3.52% of Recip) | Grad sum 100.69 ( 5.25% of Recip) | FFT back comm time 958.43 (74.86% of FFT t) | Other 321.91 (25.14% of FFT t) | FFT time 1280.35 (66.75% of Recip) | Other 83.85 ( 4.37% of Recip) | Recip Ewald time 1918.06 (39.24% of Ewald) | Force Adjust 273.16 ( 5.59% of Ewald) | Virial junk 426.66 ( 8.73% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4887.99 (77.16% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6334.62 (77.74% of Force) | Bond/Angle/Dihedral 29.80 ( 0.37% of Force) | FRC Collect time 1482.61 (18.20% of Force) | Other 300.95 ( 3.69% of Force) | Force time 8147.97 (64.12% of Runmd) | Shake time 100.79 ( 0.79% of Runmd) | Verlet update time 1274.76 (10.03% of Runmd) | Ekcmr time 1034.57 ( 8.14% of Runmd) | CRD distribute time 1790.13 (14.09% of Runmd) | Other 359.08 ( 2.83% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 40 | Build the list 827.71 (56.89% of List ) | Other 627.13 (43.11% of List ) | List time 1454.84 (22.99% of Nonbo) | Short_ene time 1332.07 (59.73% of Direc) | Other 898.22 (40.27% of Direc) | Direct Ewald time 2230.29 (45.78% of Ewald) | Adjust Ewald time 17.47 ( 0.36% of Ewald) | Fill Bspline coeffs 322.11 (16.91% of Recip) | Fill charge grid 59.45 ( 3.12% of Recip) | Scalar sum 67.90 ( 3.56% of Recip) | Grad sum 98.87 ( 5.19% of Recip) | FFT back comm time 949.58 (75.08% of FFT t) | Other 315.23 (24.92% of FFT t) | FFT time 1264.81 (66.40% of Recip) | Other 91.79 ( 4.82% of Recip) | Recip Ewald time 1904.92 (39.11% of Ewald) | Force Adjust 287.45 ( 5.90% of Ewald) | Virial junk 429.94 ( 8.83% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4871.28 (76.99% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6326.87 (77.65% of Force) | Bond/Angle/Dihedral 30.38 ( 0.37% of Force) | FRC Collect time 1483.42 (18.21% of Force) | Other 306.80 ( 3.77% of Force) | Force time 8147.47 (64.12% of Runmd) | Shake time 101.86 ( 0.80% of Runmd) | Verlet update time 949.08 ( 7.47% of Runmd) | Ekcmr time 2253.24 (17.73% of Runmd) | CRD distribute time 1068.21 ( 8.41% of Runmd) | Other 187.46 ( 1.48% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.46 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 41 | Build the list 825.60 (56.80% of List ) | Other 627.94 (43.20% of List ) | List time 1453.54 (22.98% of Nonbo) | Short_ene time 1334.10 (59.81% of Direc) | Other 896.31 (40.19% of Direc) | Direct Ewald time 2230.41 (45.79% of Ewald) | Adjust Ewald time 17.34 ( 0.36% of Ewald) | Fill Bspline coeffs 316.86 (16.65% of Recip) | Fill charge grid 60.16 ( 3.16% of Recip) | Scalar sum 67.94 ( 3.57% of Recip) | Grad sum 98.59 ( 5.18% of Recip) | FFT back comm time 949.82 (74.92% of FFT t) | Other 317.93 (25.08% of FFT t) | FFT time 1267.75 (66.62% of Recip) | Other 91.55 ( 4.81% of Recip) | Recip Ewald time 1902.85 (39.06% of Ewald) | Force Adjust 294.27 ( 6.04% of Ewald) | Virial junk 425.23 ( 8.73% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4871.33 (77.01% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6325.64 (77.67% of Force) | Bond/Angle/Dihedral 30.09 ( 0.37% of Force) | FRC Collect time 1483.53 (18.21% of Force) | Other 305.41 ( 3.75% of Force) | Force time 8144.68 (64.09% of Runmd) | Shake time 100.87 ( 0.79% of Runmd) | Verlet update time 1077.38 ( 8.48% of Runmd) | Ekcmr time 1606.12 (12.64% of Runmd) | CRD distribute time 1517.39 (11.94% of Runmd) | Other 260.87 ( 2.05% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 42 | Build the list 827.90 (56.67% of List ) | Other 633.00 (43.33% of List ) | List time 1460.90 (23.06% of Nonbo) | Short_ene time 1344.49 (59.50% of Direc) | Other 915.31 (40.50% of Direc) | Direct Ewald time 2259.79 (46.38% of Ewald) | Adjust Ewald time 17.33 ( 0.36% of Ewald) | Fill Bspline coeffs 323.95 (17.00% of Recip) | Fill charge grid 59.25 ( 3.11% of Recip) | Scalar sum 67.97 ( 3.57% of Recip) | Grad sum 98.59 ( 5.17% of Recip) | FFT back comm time 951.55 (75.21% of FFT t) | Other 313.64 (24.79% of FFT t) | FFT time 1265.19 (66.39% of Recip) | Other 90.85 ( 4.77% of Recip) | Recip Ewald time 1905.80 (39.12% of Ewald) | Force Adjust 260.28 ( 5.34% of Ewald) | Virial junk 427.80 ( 8.78% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 4872.28 (76.92% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6333.96 (77.73% of Force) | Bond/Angle/Dihedral 30.66 ( 0.38% of Force) | FRC Collect time 1483.31 (18.20% of Force) | Other 300.42 ( 3.69% of Force) | Force time 8148.35 (64.12% of Runmd) | Shake time 101.34 ( 0.80% of Runmd) | Verlet update time 1026.42 ( 8.08% of Runmd) | Ekcmr time 1793.02 (14.11% of Runmd) | CRD distribute time 1364.87 (10.74% of Runmd) | Other 273.29 ( 2.15% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 43 | Build the list 829.37 (56.87% of List ) | Other 629.02 (43.13% of List ) | List time 1458.39 (23.04% of Nonbo) | Short_ene time 1344.72 (59.87% of Direc) | Other 901.23 (40.13% of Direc) | Direct Ewald time 2245.95 (46.10% of Ewald) | Adjust Ewald time 17.36 ( 0.36% of Ewald) | Fill Bspline coeffs 318.84 (16.75% of Recip) | Fill charge grid 61.84 ( 3.25% of Recip) | Scalar sum 67.94 ( 3.57% of Recip) | Grad sum 99.99 ( 5.25% of Recip) | FFT back comm time 954.62 (75.31% of FFT t) | Other 312.92 (24.69% of FFT t) | FFT time 1267.54 (66.59% of Recip) | Other 87.26 ( 4.58% of Recip) | Recip Ewald time 1903.41 (39.07% of Ewald) | Force Adjust 278.87 ( 5.72% of Ewald) | Virial junk 424.86 ( 8.72% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4871.71 (76.95% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6330.91 (77.73% of Force) | Bond/Angle/Dihedral 29.73 ( 0.36% of Force) | FRC Collect time 1483.18 (18.21% of Force) | Other 301.28 ( 3.70% of Force) | Force time 8145.09 (64.10% of Runmd) | Shake time 101.11 ( 0.80% of Runmd) | Verlet update time 1166.71 ( 9.18% of Runmd) | Ekcmr time 1264.88 ( 9.95% of Runmd) | CRD distribute time 1765.90 (13.90% of Runmd) | Other 263.61 ( 2.07% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 44 | Build the list 827.98 (56.77% of List ) | Other 630.55 (43.23% of List ) | List time 1458.53 (23.03% of Nonbo) | Short_ene time 1328.98 (59.22% of Direc) | Other 915.18 (40.78% of Direc) | Direct Ewald time 2244.16 (46.05% of Ewald) | Adjust Ewald time 17.32 ( 0.36% of Ewald) | Fill Bspline coeffs 324.86 (17.04% of Recip) | Fill charge grid 60.71 ( 3.18% of Recip) | Scalar sum 67.64 ( 3.55% of Recip) | Grad sum 101.05 ( 5.30% of Recip) | FFT back comm time 958.18 (75.59% of FFT t) | Other 309.45 (24.41% of FFT t) | FFT time 1267.63 (66.49% of Recip) | Other 84.64 ( 4.44% of Recip) | Recip Ewald time 1906.53 (39.12% of Ewald) | Force Adjust 275.93 ( 5.66% of Ewald) | Virial junk 427.89 ( 8.78% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.74 ( 0.02% of Ewald) | Ewald time 4873.18 (76.95% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6332.52 (77.70% of Force) | Bond/Angle/Dihedral 30.73 ( 0.38% of Force) | FRC Collect time 1484.47 (18.22% of Force) | Other 301.86 ( 3.70% of Force) | Force time 8149.58 (64.13% of Runmd) | Shake time 100.96 ( 0.79% of Runmd) | Verlet update time 1019.37 ( 8.02% of Runmd) | Ekcmr time 1861.13 (14.65% of Runmd) | CRD distribute time 1312.26 (10.33% of Runmd) | Other 264.01 ( 2.08% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 45 | Build the list 837.04 (58.34% of List ) | Other 597.73 (41.66% of List ) | List time 1434.76 (22.67% of Nonbo) | Short_ene time 1344.89 (59.41% of Direc) | Other 918.74 (40.59% of Direc) | Direct Ewald time 2263.64 (46.27% of Ewald) | Adjust Ewald time 17.03 ( 0.35% of Ewald) | Fill Bspline coeffs 321.79 (16.73% of Recip) | Fill charge grid 67.27 ( 3.50% of Recip) | Scalar sum 67.62 ( 3.52% of Recip) | Grad sum 100.10 ( 5.21% of Recip) | FFT back comm time 960.28 (74.92% of FFT t) | Other 321.38 (25.08% of FFT t) | FFT time 1281.66 (66.64% of Recip) | Other 84.69 ( 4.40% of Recip) | Recip Ewald time 1923.13 (39.31% of Ewald) | Force Adjust 259.35 ( 5.30% of Ewald) | Virial junk 427.47 ( 8.74% of Ewald) | Start sycnronization 0.50 ( 0.01% of Ewald) | Other 0.76 ( 0.02% of Ewald) | Ewald time 4892.05 (77.31% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6327.63 (77.67% of Force) | Bond/Angle/Dihedral 30.04 ( 0.37% of Force) | FRC Collect time 1484.11 (18.22% of Force) | Other 304.66 ( 3.74% of Force) | Force time 8146.43 (64.11% of Runmd) | Shake time 100.84 ( 0.79% of Runmd) | Verlet update time 1120.31 ( 8.82% of Runmd) | Ekcmr time 1415.11 (11.14% of Runmd) | CRD distribute time 1644.05 (12.94% of Runmd) | Other 280.55 ( 2.21% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 46 | Build the list 829.24 (56.91% of List ) | Other 627.96 (43.09% of List ) | List time 1457.21 (23.00% of Nonbo) | Short_ene time 1399.93 (61.04% of Direc) | Other 893.60 (38.96% of Direc) | Direct Ewald time 2293.53 (47.03% of Ewald) | Adjust Ewald time 16.95 ( 0.35% of Ewald) | Fill Bspline coeffs 314.14 (16.44% of Recip) | Fill charge grid 66.65 ( 3.49% of Recip) | Scalar sum 67.49 ( 3.53% of Recip) | Grad sum 100.24 ( 5.25% of Recip) | FFT back comm time 961.17 (75.24% of FFT t) | Other 316.31 (24.76% of FFT t) | FFT time 1277.48 (66.86% of Recip) | Other 84.59 ( 4.43% of Recip) | Recip Ewald time 1910.59 (39.18% of Ewald) | Force Adjust 226.66 ( 4.65% of Ewald) | Virial junk 427.67 ( 8.77% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.74 ( 0.02% of Ewald) | Ewald time 4876.80 (76.98% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6334.82 (77.73% of Force) | Bond/Angle/Dihedral 30.63 ( 0.38% of Force) | FRC Collect time 1484.32 (18.21% of Force) | Other 300.47 ( 3.69% of Force) | Force time 8150.23 (64.14% of Runmd) | Shake time 100.77 ( 0.79% of Runmd) | Verlet update time 1121.06 ( 8.82% of Runmd) | Ekcmr time 1362.67 (10.72% of Runmd) | CRD distribute time 1700.22 (13.38% of Runmd) | Other 272.34 ( 2.14% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 47 | Build the list 829.89 (56.98% of List ) | Other 626.68 (43.02% of List ) | List time 1456.57 (22.99% of Nonbo) | Short_ene time 1334.09 (59.54% of Direc) | Other 906.68 (40.46% of Direc) | Direct Ewald time 2240.77 (45.94% of Ewald) | Adjust Ewald time 17.41 ( 0.36% of Ewald) | Fill Bspline coeffs 315.39 (16.51% of Recip) | Fill charge grid 65.33 ( 3.42% of Recip) | Scalar sum 67.52 ( 3.54% of Recip) | Grad sum 99.90 ( 5.23% of Recip) | FFT back comm time 962.93 (75.35% of FFT t) | Other 314.95 (24.65% of FFT t) | FFT time 1277.87 (66.91% of Recip) | Other 83.94 ( 4.39% of Recip) | Recip Ewald time 1909.95 (39.15% of Ewald) | Force Adjust 283.83 ( 5.82% of Ewald) | Virial junk 424.90 ( 8.71% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4878.09 (77.00% of Nonbo) | Other 0.69 ( 0.01% of Nonbo) | Nonbond force 6335.46 (77.77% of Force) | Bond/Angle/Dihedral 30.27 ( 0.37% of Force) | FRC Collect time 1483.91 (18.21% of Force) | Other 297.18 ( 3.65% of Force) | Force time 8146.83 (64.11% of Runmd) | Shake time 100.96 ( 0.79% of Runmd) | Verlet update time 1219.30 ( 9.60% of Runmd) | Ekcmr time 1177.38 ( 9.27% of Runmd) | CRD distribute time 1814.18 (14.28% of Runmd) | Other 248.66 ( 1.96% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 48 | Build the list 832.33 (57.30% of List ) | Other 620.34 (42.70% of List ) | List time 1452.67 (22.97% of Nonbo) | Short_ene time 1346.80 (59.56% of Direc) | Other 914.45 (40.44% of Direc) | Direct Ewald time 2261.25 (46.42% of Ewald) | Adjust Ewald time 17.27 ( 0.35% of Ewald) | Fill Bspline coeffs 326.61 (17.16% of Recip) | Fill charge grid 58.30 ( 3.06% of Recip) | Scalar sum 67.95 ( 3.57% of Recip) | Grad sum 98.10 ( 5.16% of Recip) | FFT back comm time 960.80 (75.88% of FFT t) | Other 305.37 (24.12% of FFT t) | FFT time 1266.17 (66.54% of Recip) | Other 85.82 ( 4.51% of Recip) | Recip Ewald time 1902.95 (39.06% of Ewald) | Force Adjust 256.90 ( 5.27% of Ewald) | Virial junk 431.66 ( 8.86% of Ewald) | Start sycnronization 0.44 ( 0.01% of Ewald) | Other 0.73 ( 0.01% of Ewald) | Ewald time 4871.36 (77.02% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6324.81 (77.63% of Force) | Bond/Angle/Dihedral 30.44 ( 0.37% of Force) | FRC Collect time 1485.02 (18.23% of Force) | Other 307.30 ( 3.77% of Force) | Force time 8147.58 (64.12% of Runmd) | Shake time 102.50 ( 0.81% of Runmd) | Verlet update time 948.03 ( 7.46% of Runmd) | Ekcmr time 2214.83 (17.43% of Runmd) | CRD distribute time 1078.53 ( 8.49% of Runmd) | Other 215.84 ( 1.70% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 49 | Build the list 826.97 (56.92% of List ) | Other 625.99 (43.08% of List ) | List time 1452.95 (22.97% of Nonbo) | Short_ene time 1398.71 (60.81% of Direc) | Other 901.26 (39.19% of Direc) | Direct Ewald time 2299.97 (47.22% of Ewald) | Adjust Ewald time 17.03 ( 0.35% of Ewald) | Fill Bspline coeffs 326.47 (17.18% of Recip) | Fill charge grid 58.18 ( 3.06% of Recip) | Scalar sum 67.97 ( 3.58% of Recip) | Grad sum 99.90 ( 5.26% of Recip) | FFT back comm time 962.85 (76.08% of FFT t) | Other 302.81 (23.92% of FFT t) | FFT time 1265.66 (66.59% of Recip) | Other 82.49 ( 4.34% of Recip) | Recip Ewald time 1900.68 (39.03% of Ewald) | Force Adjust 224.08 ( 4.60% of Ewald) | Virial junk 427.45 ( 8.78% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4870.40 (77.01% of Nonbo) | Other 0.65 ( 0.01% of Nonbo) | Nonbond force 6324.11 (77.65% of Force) | Bond/Angle/Dihedral 30.09 ( 0.37% of Force) | FRC Collect time 1485.12 (18.23% of Force) | Other 305.30 ( 3.75% of Force) | Force time 8144.62 (64.09% of Runmd) | Shake time 101.84 ( 0.80% of Runmd) | Verlet update time 1013.67 ( 7.98% of Runmd) | Ekcmr time 1821.56 (14.33% of Runmd) | CRD distribute time 1378.76 (10.85% of Runmd) | Other 246.86 ( 1.94% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 50 | Build the list 835.75 (57.89% of List ) | Other 607.92 (42.11% of List ) | List time 1443.67 (22.80% of Nonbo) | Short_ene time 1329.95 (59.64% of Direc) | Other 900.11 (40.36% of Direc) | Direct Ewald time 2230.06 (45.62% of Ewald) | Adjust Ewald time 17.52 ( 0.36% of Ewald) | Fill Bspline coeffs 320.54 (16.70% of Recip) | Fill charge grid 65.38 ( 3.41% of Recip) | Scalar sum 67.93 ( 3.54% of Recip) | Grad sum 98.95 ( 5.15% of Recip) | FFT back comm time 963.75 (75.07% of FFT t) | Other 320.11 (24.93% of FFT t) | FFT time 1283.86 (66.87% of Recip) | Other 83.29 ( 4.34% of Recip) | Recip Ewald time 1919.95 (39.28% of Ewald) | Force Adjust 290.60 ( 5.95% of Ewald) | Virial junk 428.50 ( 8.77% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.74 ( 0.02% of Ewald) | Ewald time 4888.02 (77.19% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6332.48 (77.72% of Force) | Bond/Angle/Dihedral 30.43 ( 0.37% of Force) | FRC Collect time 1484.35 (18.22% of Force) | Other 300.99 ( 3.69% of Force) | Force time 8148.26 (64.12% of Runmd) | Shake time 101.02 ( 0.79% of Runmd) | Verlet update time 1024.15 ( 8.06% of Runmd) | Ekcmr time 1897.44 (14.93% of Runmd) | CRD distribute time 1281.62 (10.09% of Runmd) | Other 254.82 ( 2.01% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 51 | Build the list 828.36 (56.92% of List ) | Other 626.94 (43.08% of List ) | List time 1455.30 (22.99% of Nonbo) | Short_ene time 1343.01 (59.64% of Direc) | Other 909.00 (40.36% of Direc) | Direct Ewald time 2252.02 (46.21% of Ewald) | Adjust Ewald time 17.44 ( 0.36% of Ewald) | Fill Bspline coeffs 321.94 (16.91% of Recip) | Fill charge grid 60.69 ( 3.19% of Recip) | Scalar sum 67.75 ( 3.56% of Recip) | Grad sum 100.48 ( 5.28% of Recip) | FFT back comm time 965.13 (75.88% of FFT t) | Other 306.82 (24.12% of FFT t) | FFT time 1271.95 (66.80% of Recip) | Other 81.38 ( 4.27% of Recip) | Recip Ewald time 1904.18 (39.07% of Ewald) | Force Adjust 273.32 ( 5.61% of Ewald) | Virial junk 425.07 ( 8.72% of Ewald) | Start sycnronization 0.42 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4873.31 (76.99% of Nonbo) | Other 0.67 ( 0.01% of Nonbo) | Nonbond force 6329.39 (77.72% of Force) | Bond/Angle/Dihedral 30.31 ( 0.37% of Force) | FRC Collect time 1484.15 (18.22% of Force) | Other 300.20 ( 3.69% of Force) | Force time 8144.06 (64.09% of Runmd) | Shake time 102.05 ( 0.80% of Runmd) | Verlet update time 1101.18 ( 8.67% of Runmd) | Ekcmr time 1344.27 (10.58% of Runmd) | CRD distribute time 1771.28 (13.94% of Runmd) | Other 244.48 ( 1.92% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 52 | Build the list 828.18 (56.97% of List ) | Other 625.60 (43.03% of List ) | List time 1453.78 (22.96% of Nonbo) | Short_ene time 1429.41 (61.77% of Direc) | Other 884.53 (38.23% of Direc) | Direct Ewald time 2313.94 (47.45% of Ewald) | Adjust Ewald time 17.01 ( 0.35% of Ewald) | Fill Bspline coeffs 323.75 (16.97% of Recip) | Fill charge grid 60.29 ( 3.16% of Recip) | Scalar sum 67.76 ( 3.55% of Recip) | Grad sum 100.02 ( 5.24% of Recip) | FFT back comm time 966.44 (75.74% of FFT t) | Other 309.53 (24.26% of FFT t) | FFT time 1275.97 (66.87% of Recip) | Other 80.37 ( 4.21% of Recip) | Recip Ewald time 1908.16 (39.13% of Ewald) | Force Adjust 205.17 ( 4.21% of Ewald) | Virial junk 430.94 ( 8.84% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.69 ( 0.01% of Ewald) | Ewald time 4876.47 (77.03% of Nonbo) | Other 0.60 ( 0.01% of Nonbo) | Nonbond force 6330.95 (77.69% of Force) | Bond/Angle/Dihedral 30.64 ( 0.38% of Force) | FRC Collect time 1485.47 (18.23% of Force) | Other 302.00 ( 3.71% of Force) | Force time 8149.06 (64.13% of Runmd) | Shake time 101.74 ( 0.80% of Runmd) | Verlet update time 1022.86 ( 8.05% of Runmd) | Ekcmr time 1825.03 (14.36% of Runmd) | CRD distribute time 1338.10 (10.53% of Runmd) | Other 270.52 ( 2.13% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 53 | Build the list 826.58 (56.99% of List ) | Other 623.70 (43.01% of List ) | List time 1450.28 (22.94% of Nonbo) | Short_ene time 1331.69 (59.59% of Direc) | Other 903.13 (40.41% of Direc) | Direct Ewald time 2234.82 (45.89% of Ewald) | Adjust Ewald time 17.50 ( 0.36% of Ewald) | Fill Bspline coeffs 313.96 (16.52% of Recip) | Fill charge grid 63.20 ( 3.33% of Recip) | Scalar sum 67.55 ( 3.56% of Recip) | Grad sum 101.42 ( 5.34% of Recip) | FFT back comm time 966.76 (75.82% of FFT t) | Other 308.36 (24.18% of FFT t) | FFT time 1275.12 (67.11% of Recip) | Other 78.78 ( 4.15% of Recip) | Recip Ewald time 1900.04 (39.02% of Ewald) | Force Adjust 290.25 ( 5.96% of Ewald) | Virial junk 426.13 ( 8.75% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4869.94 (77.04% of Nonbo) | Other 0.65 ( 0.01% of Nonbo) | Nonbond force 6320.97 (77.60% of Force) | Bond/Angle/Dihedral 30.11 ( 0.37% of Force) | FRC Collect time 1485.16 (18.23% of Force) | Other 309.25 ( 3.80% of Force) | Force time 8145.48 (64.10% of Runmd) | Shake time 101.70 ( 0.80% of Runmd) | Verlet update time 1120.99 ( 8.82% of Runmd) | Ekcmr time 1395.63 (10.98% of Runmd) | CRD distribute time 1702.26 (13.40% of Runmd) | Other 241.24 ( 1.90% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 54 | Build the list 830.86 (57.25% of List ) | Other 620.52 (42.75% of List ) | List time 1451.38 (22.92% of Nonbo) | Short_ene time 1356.30 (59.19% of Direc) | Other 935.26 (40.81% of Direc) | Direct Ewald time 2291.56 (46.96% of Ewald) | Adjust Ewald time 17.18 ( 0.35% of Ewald) | Fill Bspline coeffs 315.88 (16.51% of Recip) | Fill charge grid 66.17 ( 3.46% of Recip) | Scalar sum 67.52 ( 3.53% of Recip) | Grad sum 101.88 ( 5.33% of Recip) | FFT back comm time 968.10 (75.43% of FFT t) | Other 315.31 (24.57% of FFT t) | FFT time 1283.41 (67.10% of Recip) | Other 77.93 ( 4.07% of Recip) | Recip Ewald time 1912.78 (39.19% of Ewald) | Force Adjust 228.68 ( 4.69% of Ewald) | Virial junk 428.73 ( 8.78% of Ewald) | Start sycnronization 0.45 ( 0.01% of Ewald) | Other 0.71 ( 0.01% of Ewald) | Ewald time 4880.23 (77.07% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6332.38 (77.69% of Force) | Bond/Angle/Dihedral 30.66 ( 0.38% of Force) | FRC Collect time 1485.57 (18.23% of Force) | Other 301.98 ( 3.71% of Force) | Force time 8150.59 (64.14% of Runmd) | Shake time 100.31 ( 0.79% of Runmd) | Verlet update time 1125.43 ( 8.86% of Runmd) | Ekcmr time 1349.56 (10.62% of Runmd) | CRD distribute time 1755.29 (13.81% of Runmd) | Other 226.12 ( 1.78% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 55 | Build the list 828.32 (56.95% of List ) | Other 626.23 (43.05% of List ) | List time 1454.55 (22.98% of Nonbo) | Short_ene time 1446.92 (61.86% of Direc) | Other 892.29 (38.14% of Direc) | Direct Ewald time 2339.22 (47.98% of Ewald) | Adjust Ewald time 16.89 ( 0.35% of Ewald) | Fill Bspline coeffs 320.76 (16.83% of Recip) | Fill charge grid 62.07 ( 3.26% of Recip) | Scalar sum 67.53 ( 3.54% of Recip) | Grad sum 100.82 ( 5.29% of Recip) | FFT back comm time 968.13 (75.87% of FFT t) | Other 307.93 (24.13% of FFT t) | FFT time 1276.06 (66.95% of Recip) | Other 78.84 ( 4.14% of Recip) | Recip Ewald time 1906.08 (39.10% of Ewald) | Force Adjust 184.74 ( 3.79% of Ewald) | Virial junk 426.83 ( 8.76% of Ewald) | Start sycnronization 0.41 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4874.97 (77.01% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6330.32 (77.71% of Force) | Bond/Angle/Dihedral 30.36 ( 0.37% of Force) | FRC Collect time 1485.16 (18.23% of Force) | Other 300.51 ( 3.69% of Force) | Force time 8146.35 (64.11% of Runmd) | Shake time 102.14 ( 0.80% of Runmd) | Verlet update time 1181.46 ( 9.30% of Runmd) | Ekcmr time 1210.07 ( 9.52% of Runmd) | CRD distribute time 1848.43 (14.55% of Runmd) | Other 218.84 ( 1.72% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 56 | Build the list 826.48 (56.71% of List ) | Other 630.87 (43.29% of List ) | List time 1457.34 (23.02% of Nonbo) | Short_ene time 1323.71 (59.38% of Direc) | Other 905.63 (40.62% of Direc) | Direct Ewald time 2229.33 (45.75% of Ewald) | Adjust Ewald time 17.27 ( 0.35% of Ewald) | Fill Bspline coeffs 322.07 (16.92% of Recip) | Fill charge grid 62.47 ( 3.28% of Recip) | Scalar sum 67.93 ( 3.57% of Recip) | Grad sum 98.02 ( 5.15% of Recip) | FFT back comm time 945.94 (75.18% of FFT t) | Other 312.32 (24.82% of FFT t) | FFT time 1258.26 (66.11% of Recip) | Other 94.51 ( 4.97% of Recip) | Recip Ewald time 1903.27 (39.06% of Ewald) | Force Adjust 287.18 ( 5.89% of Ewald) | Virial junk 434.22 ( 8.91% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.68 ( 0.01% of Ewald) | Ewald time 4872.48 (76.97% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6330.59 (77.70% of Force) | Bond/Angle/Dihedral 31.93 ( 0.39% of Force) | FRC Collect time 1486.57 (18.25% of Force) | Other 298.08 ( 3.66% of Force) | Force time 8147.18 (64.11% of Runmd) | Shake time 101.62 ( 0.80% of Runmd) | Verlet update time 1012.32 ( 7.97% of Runmd) | Ekcmr time 1963.48 (15.45% of Runmd) | CRD distribute time 1201.83 ( 9.46% of Runmd) | Other 280.89 ( 2.21% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 57 | Build the list 825.22 (56.92% of List ) | Other 624.67 (43.08% of List ) | List time 1449.90 (22.93% of Nonbo) | Short_ene time 1353.27 (59.47% of Direc) | Other 922.45 (40.53% of Direc) | Direct Ewald time 2275.72 (46.71% of Ewald) | Adjust Ewald time 17.21 ( 0.35% of Ewald) | Fill Bspline coeffs 322.10 (16.94% of Recip) | Fill charge grid 58.41 ( 3.07% of Recip) | Scalar sum 67.91 ( 3.57% of Recip) | Grad sum 98.01 ( 5.15% of Recip) | FFT back comm time 947.30 (75.12% of FFT t) | Other 313.76 (24.88% of FFT t) | FFT time 1261.06 (66.32% of Recip) | Other 93.87 ( 4.94% of Recip) | Recip Ewald time 1901.37 (39.03% of Ewald) | Force Adjust 245.85 ( 5.05% of Ewald) | Virial junk 430.57 ( 8.84% of Ewald) | Start sycnronization 0.40 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4871.95 (77.06% of Nonbo) | Other 0.65 ( 0.01% of Nonbo) | Nonbond force 6322.60 (77.63% of Force) | Bond/Angle/Dihedral 31.32 ( 0.38% of Force) | FRC Collect time 1486.66 (18.25% of Force) | Other 303.67 ( 3.73% of Force) | Force time 8144.24 (64.09% of Runmd) | Shake time 101.74 ( 0.80% of Runmd) | Verlet update time 1059.06 ( 8.33% of Runmd) | Ekcmr time 1778.43 (14.00% of Runmd) | CRD distribute time 1331.68 (10.48% of Runmd) | Other 292.15 ( 2.30% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 58 | Build the list 828.97 (57.10% of List ) | Other 622.85 (42.90% of List ) | List time 1451.82 (22.93% of Nonbo) | Short_ene time 1455.81 (62.09% of Direc) | Other 889.05 (37.91% of Direc) | Direct Ewald time 2344.86 (48.05% of Ewald) | Adjust Ewald time 16.99 ( 0.35% of Ewald) | Fill Bspline coeffs 318.00 (16.64% of Recip) | Fill charge grid 64.70 ( 3.39% of Recip) | Scalar sum 67.90 ( 3.55% of Recip) | Grad sum 100.48 ( 5.26% of Recip) | FFT back comm time 948.79 (74.78% of FFT t) | Other 320.03 (25.22% of FFT t) | FFT time 1268.82 (66.40% of Recip) | Other 91.01 ( 4.76% of Recip) | Recip Ewald time 1910.90 (39.16% of Ewald) | Force Adjust 172.41 ( 3.53% of Ewald) | Virial junk 433.27 ( 8.88% of Ewald) | Start sycnronization 0.43 ( 0.01% of Ewald) | Other 0.70 ( 0.01% of Ewald) | Ewald time 4879.72 (77.06% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6332.31 (77.72% of Force) | Bond/Angle/Dihedral 31.57 ( 0.39% of Force) | FRC Collect time 1485.92 (18.24% of Force) | Other 298.05 ( 3.66% of Force) | Force time 8147.85 (64.12% of Runmd) | Shake time 101.66 ( 0.80% of Runmd) | Verlet update time 1035.82 ( 8.15% of Runmd) | Ekcmr time 1887.93 (14.86% of Runmd) | CRD distribute time 1251.05 ( 9.85% of Runmd) | Other 282.99 ( 2.23% of Runmd) | Runmd Time 12707.31 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.78 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 59 | Build the list 826.64 (56.99% of List ) | Other 623.95 (43.01% of List ) | List time 1450.59 (22.94% of Nonbo) | Short_ene time 1356.33 (60.15% of Direc) | Other 898.62 (39.85% of Direc) | Direct Ewald time 2254.95 (46.28% of Ewald) | Adjust Ewald time 17.30 ( 0.36% of Ewald) | Fill Bspline coeffs 317.34 (16.69% of Recip) | Fill charge grid 61.29 ( 3.22% of Recip) | Scalar sum 67.76 ( 3.56% of Recip) | Grad sum 99.52 ( 5.23% of Recip) | FFT back comm time 950.18 (75.17% of FFT t) | Other 313.90 (24.83% of FFT t) | FFT time 1264.08 (66.48% of Recip) | Other 91.48 ( 4.81% of Recip) | Recip Ewald time 1901.47 (39.03% of Ewald) | Force Adjust 268.26 ( 5.51% of Ewald) | Virial junk 428.73 ( 8.80% of Ewald) | Start sycnronization 0.39 ( 0.01% of Ewald) | Other 0.67 ( 0.01% of Ewald) | Ewald time 4871.93 (77.05% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6323.29 (77.64% of Force) | Bond/Angle/Dihedral 31.53 ( 0.39% of Force) | FRC Collect time 1485.72 (18.24% of Force) | Other 303.49 ( 3.73% of Force) | Force time 8144.03 (64.09% of Runmd) | Shake time 101.87 ( 0.80% of Runmd) | Verlet update time 1144.71 ( 9.01% of Runmd) | Ekcmr time 1313.81 (10.34% of Runmd) | CRD distribute time 1754.83 (13.81% of Runmd) | Other 248.05 ( 1.95% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 60 | Build the list 831.13 (57.26% of List ) | Other 620.33 (42.74% of List ) | List time 1451.46 (22.92% of Nonbo) | Short_ene time 1374.66 (60.26% of Direc) | Other 906.65 (39.74% of Direc) | Direct Ewald time 2281.31 (46.74% of Ewald) | Adjust Ewald time 17.20 ( 0.35% of Ewald) | Fill Bspline coeffs 318.56 (16.66% of Recip) | Fill charge grid 65.89 ( 3.45% of Recip) | Scalar sum 67.69 ( 3.54% of Recip) | Grad sum 100.69 ( 5.27% of Recip) | FFT back comm time 953.54 (75.05% of FFT t) | Other 316.96 (24.95% of FFT t) | FFT time 1270.50 (66.45% of Recip) | Other 88.69 ( 4.64% of Recip) | Recip Ewald time 1912.01 (39.17% of Ewald) | Force Adjust 236.60 ( 4.85% of Ewald) | Virial junk 432.52 ( 8.86% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.75 ( 0.02% of Ewald) | Ewald time 4881.05 (77.07% of Nonbo) | Other 0.70 ( 0.01% of Nonbo) | Nonbond force 6333.33 (77.72% of Force) | Bond/Angle/Dihedral 33.77 ( 0.41% of Force) | FRC Collect time 1487.61 (18.25% of Force) | Other 294.58 ( 3.61% of Force) | Force time 8149.28 (64.13% of Runmd) | Shake time 100.96 ( 0.79% of Runmd) | Verlet update time 1020.66 ( 8.03% of Runmd) | Ekcmr time 1942.95 (15.29% of Runmd) | CRD distribute time 1209.66 ( 9.52% of Runmd) | Other 283.79 ( 2.23% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 61 | Build the list 828.77 (57.27% of List ) | Other 618.25 (42.73% of List ) | List time 1447.02 (22.87% of Nonbo) | Short_ene time 1478.04 (62.98% of Direc) | Other 868.91 (37.02% of Direc) | Direct Ewald time 2346.94 (48.11% of Ewald) | Adjust Ewald time 16.86 ( 0.35% of Ewald) | Fill Bspline coeffs 323.86 (16.97% of Recip) | Fill charge grid 59.33 ( 3.11% of Recip) | Scalar sum 67.56 ( 3.54% of Recip) | Grad sum 98.89 ( 5.18% of Recip) | FFT back comm time 956.56 (75.32% of FFT t) | Other 313.48 (24.68% of FFT t) | FFT time 1270.03 (66.55% of Recip) | Other 88.70 ( 4.65% of Recip) | Recip Ewald time 1908.37 (39.12% of Ewald) | Force Adjust 173.79 ( 3.56% of Ewald) | Virial junk 431.30 ( 8.84% of Ewald) | Start sycnronization 0.38 ( 0.01% of Ewald) | Other 0.64 ( 0.01% of Ewald) | Ewald time 4878.43 (77.11% of Nonbo) | Other 0.66 ( 0.01% of Nonbo) | Nonbond force 6326.22 (77.66% of Force) | Bond/Angle/Dihedral 36.26 ( 0.45% of Force) | FRC Collect time 1487.27 (18.26% of Force) | Other 296.29 ( 3.64% of Force) | Force time 8146.04 (64.11% of Runmd) | Shake time 101.03 ( 0.80% of Runmd) | Verlet update time 1126.72 ( 8.87% of Runmd) | Ekcmr time 1477.06 (11.62% of Runmd) | CRD distribute time 1601.27 (12.60% of Runmd) | Other 255.18 ( 2.01% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 62 | Build the list 833.52 (57.08% of List ) | Other 626.83 (42.92% of List ) | List time 1460.35 (23.01% of Nonbo) | Short_ene time 1401.22 (61.04% of Direc) | Other 894.28 (38.96% of Direc) | Direct Ewald time 2295.49 (46.99% of Ewald) | Adjust Ewald time 17.04 ( 0.35% of Ewald) | Fill Bspline coeffs 325.83 (17.01% of Recip) | Fill charge grid 63.14 ( 3.30% of Recip) | Scalar sum 67.55 ( 3.53% of Recip) | Grad sum 99.14 ( 5.17% of Recip) | FFT back comm time 956.64 (75.23% of FFT t) | Other 315.01 (24.77% of FFT t) | FFT time 1271.65 (66.37% of Recip) | Other 88.73 ( 4.63% of Recip) | Recip Ewald time 1916.03 (39.22% of Ewald) | Force Adjust 223.39 ( 4.57% of Ewald) | Virial junk 431.47 ( 8.83% of Ewald) | Start sycnronization 0.47 ( 0.01% of Ewald) | Other 0.72 ( 0.01% of Ewald) | Ewald time 4884.77 (76.98% of Nonbo) | Other 0.64 ( 0.01% of Nonbo) | Nonbond force 6345.88 (77.87% of Force) | Bond/Angle/Dihedral 36.41 ( 0.45% of Force) | FRC Collect time 1486.65 (18.24% of Force) | Other 280.91 ( 3.45% of Force) | Force time 8149.85 (64.14% of Runmd) | Shake time 101.28 ( 0.80% of Runmd) | Verlet update time 1143.15 ( 9.00% of Runmd) | Ekcmr time 1356.45 (10.67% of Runmd) | CRD distribute time 1710.84 (13.46% of Runmd) | Other 245.73 ( 1.93% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 63 | Build the list 833.92 (57.94% of List ) | Other 605.43 (42.06% of List ) | List time 1439.35 (22.76% of Nonbo) | Short_ene time 1229.82 (58.49% of Direc) | Other 872.83 (41.51% of Direc) | Direct Ewald time 2102.65 (43.05% of Ewald) | Adjust Ewald time 17.66 ( 0.36% of Ewald) | Fill Bspline coeffs 321.71 (16.81% of Recip) | Fill charge grid 62.99 ( 3.29% of Recip) | Scalar sum 67.48 ( 3.53% of Recip) | Grad sum 98.85 ( 5.16% of Recip) | FFT back comm time 957.25 (75.13% of FFT t) | Other 316.80 (24.87% of FFT t) | FFT time 1274.05 (66.56% of Recip) | Other 88.92 ( 4.65% of Recip) | Recip Ewald time 1914.00 (39.19% of Ewald) | Force Adjust 418.63 ( 8.57% of Ewald) | Virial junk 429.52 ( 8.79% of Ewald) | Start sycnronization 0.49 ( 0.01% of Ewald) | Other 0.76 ( 0.02% of Ewald) | Ewald time 4883.85 (77.23% of Nonbo) | Other 0.68 ( 0.01% of Nonbo) | Nonbond force 6324.00 (77.63% of Force) | Bond/Angle/Dihedral 40.42 ( 0.50% of Force) | FRC Collect time 1486.35 (18.25% of Force) | Other 295.35 ( 3.63% of Force) | Force time 8146.12 (64.11% of Runmd) | Shake time 101.90 ( 0.80% of Runmd) | Verlet update time 1135.14 ( 8.93% of Runmd) | Ekcmr time 1267.10 ( 9.97% of Runmd) | CRD distribute time 1857.38 (14.62% of Runmd) | Other 199.65 ( 1.57% of Runmd) | Runmd Time 12707.30 (100.0% of Total) | Other 1.47 ( 0.01% of Total) | Total time 12708.77 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 829.26 ( 823.81 838.60 3.05) | Other 624.02 ( 597.73 641.77 7.84) | List time 1453.28 ( 1434.76 1467.71 6.17) | Short_ene time 1384.11 ( 1229.82 1528.28 64.29) | Other 900.23 ( 860.69 935.26 15.09) | Direct Ewald time 2284.34 ( 2102.65 2402.40 56.37) | Adjust Ewald time 18.04 ( 16.86 19.29 0.83) | Fill Bspline coeffs 334.86 ( 313.96 370.52 17.62) | Fill charge grid 76.97 ( 58.18 104.38 17.38) | Scalar sum 95.04 ( 67.48 135.14 32.98) | Grad sum 117.73 ( 96.17 150.29 22.05) | FFT back comm time 953.19 ( 937.12 968.13 7.72) | Other 268.91 ( 173.27 324.19 55.79) | FFT time 1222.10 ( 1137.41 1283.86 58.06) | Other 59.92 ( 10.12 94.51 32.57) | Recip Ewald time 1906.62 ( 1889.23 1923.13 6.21) | Force Adjust 234.15 ( 109.39 418.63 59.05) | Virial junk 432.79 ( 424.86 441.97 5.08) | Start sycnronization 0.43 ( 0.36 0.52 0.04) | Other 0.70 ( 0.63 0.78 0.03) | Ewald time 4877.24 ( 4863.60 4892.05 6.09) | Other 0.67 ( 0.56 0.73 0.04) | Nonbond force 6331.30 ( 6317.54 6350.20 6.02) | Bond/Angle/Dihedral 30.18 ( 27.66 40.42 1.99) | FRC Collect time 1602.75 ( 1482.61 1948.57 133.45) | Other 301.80 ( 280.91 313.38 5.62) | Force time 8266.03 ( 8144.03 8612.80 134.04) | Shake time 100.31 ( 74.31 117.84 5.81) | Verlet update time 1007.57 ( 687.73 1328.20 144.54) | Ekcmr time 1510.72 ( 897.56 2273.36 335.11) | CRD distribute time 1541.46 ( 1050.31 1857.38 235.75) | Other 281.26 ( 184.06 404.54 51.99) | Runmd Time 12707.35 ( 12707.30 12710.33 0.38) | Other 1.47 ( 1.36 1.47 0.01) | Total time 12708.82 ( 12708.77 12711.79 0.37)