|>>>>>>>>PROFILE of TIMES for process 0 | Build the list 19039.11 (80.08% of List ) | Other 4736.87 (19.92% of List ) | List time 23775.98 (24.46% of Nonbo) | Short_ene time 34003.37 (74.47% of Direc) | Other 11655.62 (25.53% of Direc) | Direct Ewald time 45658.99 (62.18% of Ewald) | Adjust Ewald time 522.70 ( 0.71% of Ewald) | Self Ewald time 11.93 ( 0.02% of Ewald) | Fill Bspline coeffs 3421.41 (16.88% of Recip) | Fill charge grid 1443.68 ( 7.12% of Recip) | Scalar sum 2809.92 (13.86% of Recip) | Grad sum 2104.78 (10.38% of Recip) | FFT back comm time 5857.60 (58.20% of FFT t) | Other 4207.09 (41.80% of FFT t) | FFT time 10064.69 (49.64% of Recip) | Other 429.02 ( 2.12% of Recip) | Recip Ewald time 20273.50 (27.61% of Ewald) | Force Adjust 3399.43 ( 4.63% of Ewald) | Virial junk 3555.68 ( 4.84% of Ewald) | Other 8.05 ( 0.01% of Ewald) | Ewald time 73433.37 (75.54% of Nonbo) | Other 6.51 ( 0.01% of Nonbo) | Nonbond force 97216.89 (80.96% of Force) | Bond/Angle/Dihedral 634.01 ( 0.53% of Force) | FRC Collect time 19628.76 (16.35% of Force) | Other 2599.20 ( 2.16% of Force) | Force time 120078.86 (73.92% of Runmd) | Shake time 1948.39 ( 1.20% of Runmd) | Verlet update time 16117.81 ( 9.92% of Runmd) | Ekcmr time 5217.27 ( 3.21% of Runmd) | CRD distribute time 16527.03 (10.17% of Runmd) | Other 2549.77 ( 1.57% of Runmd) | Runmd Time 162439.13 (100.0% of Total) | Total time 162440.74 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 1 | Build the list 19042.05 (79.96% of List ) | Other 4772.93 (20.04% of List ) | List time 23814.98 (24.49% of Nonbo) | Short_ene time 32529.40 (73.13% of Direc) | Other 11952.36 (26.87% of Direc) | Direct Ewald time 44481.77 (60.58% of Ewald) | Adjust Ewald time 530.25 ( 0.72% of Ewald) | Fill Bspline coeffs 3483.06 (17.15% of Recip) | Fill charge grid 1430.45 ( 7.05% of Recip) | Scalar sum 2801.04 (13.80% of Recip) | Grad sum 2098.37 (10.33% of Recip) | FFT back comm time 5788.00 (57.73% of FFT t) | Other 4238.39 (42.27% of FFT t) | FFT time 10026.39 (49.38% of Recip) | Other 464.99 ( 2.29% of Recip) | Recip Ewald time 20304.30 (27.65% of Ewald) | Force Adjust 4529.14 ( 6.17% of Ewald) | Virial junk 3570.09 ( 4.86% of Ewald) | Other 8.50 ( 0.01% of Ewald) | Ewald time 73429.31 (75.50% of Nonbo) | Other 6.32 ( 0.01% of Nonbo) | Nonbond force 97251.67 (81.14% of Force) | Bond/Angle/Dihedral 643.83 ( 0.54% of Force) | FRC Collect time 19364.73 (16.16% of Force) | Other 2602.49 ( 2.17% of Force) | Force time 119862.72 (73.79% of Runmd) | Shake time 1364.32 ( 0.84% of Runmd) | Verlet update time 5245.38 ( 3.23% of Runmd) | Ekcmr time 17044.04 (10.49% of Runmd) | CRD distribute time 16413.72 (10.10% of Runmd) | Other 2506.18 ( 1.54% of Runmd) | Runmd Time 162436.37 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 2 | Build the list 19052.29 (79.98% of List ) | Other 4767.88 (20.02% of List ) | List time 23820.17 (24.49% of Nonbo) | Short_ene time 33092.65 (73.44% of Direc) | Other 11971.16 (26.56% of Direc) | Direct Ewald time 45063.81 (61.36% of Ewald) | Adjust Ewald time 524.74 ( 0.71% of Ewald) | Fill Bspline coeffs 3520.55 (17.32% of Recip) | Fill charge grid 1425.43 ( 7.01% of Recip) | Scalar sum 2805.98 (13.81% of Recip) | Grad sum 2096.56 (10.32% of Recip) | FFT back comm time 5779.72 (57.68% of FFT t) | Other 4240.28 (42.32% of FFT t) | FFT time 10020.00 (49.31% of Recip) | Other 452.76 ( 2.23% of Recip) | Recip Ewald time 20321.28 (27.67% of Ewald) | Force Adjust 3955.35 ( 5.39% of Ewald) | Virial junk 3565.51 ( 4.85% of Ewald) | Other 8.72 ( 0.01% of Ewald) | Ewald time 73444.88 (75.50% of Nonbo) | Other 6.79 ( 0.01% of Nonbo) | Nonbond force 97272.95 (81.39% of Force) | Bond/Angle/Dihedral 636.55 ( 0.53% of Force) | FRC Collect time 19005.38 (15.90% of Force) | Other 2594.64 ( 2.17% of Force) | Force time 119509.52 (73.57% of Runmd) | Shake time 1107.12 ( 0.68% of Runmd) | Verlet update time 5786.01 ( 3.56% of Runmd) | Ekcmr time 17031.83 (10.49% of Runmd) | CRD distribute time 16597.37 (10.22% of Runmd) | Other 2404.53 ( 1.48% of Runmd) | Runmd Time 162436.38 (100.0% of Total) | Total time 162437.99 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 3 | Build the list 19060.66 (80.13% of List ) | Other 4726.89 (19.87% of List ) | List time 23787.55 (24.46% of Nonbo) | Short_ene time 34469.42 (74.39% of Direc) | Other 11867.29 (25.61% of Direc) | Direct Ewald time 46336.71 (63.09% of Ewald) | Adjust Ewald time 526.77 ( 0.72% of Ewald) | Fill Bspline coeffs 3554.59 (17.49% of Recip) | Fill charge grid 1420.51 ( 6.99% of Recip) | Scalar sum 2800.27 (13.78% of Recip) | Grad sum 2107.07 (10.37% of Recip) | FFT back comm time 5743.81 (57.33% of FFT t) | Other 4274.72 (42.67% of FFT t) | FFT time 10018.53 (49.29% of Recip) | Other 425.92 ( 2.10% of Recip) | Recip Ewald time 20326.89 (27.67% of Ewald) | Force Adjust 2659.62 ( 3.62% of Ewald) | Virial junk 3587.06 ( 4.88% of Ewald) | Other 8.44 ( 0.01% of Ewald) | Ewald time 73451.01 (75.53% of Nonbo) | Other 6.72 ( 0.01% of Nonbo) | Nonbond force 97246.41 (81.36% of Force) | Bond/Angle/Dihedral 636.63 ( 0.53% of Force) | FRC Collect time 18990.35 (15.89% of Force) | Other 2650.46 ( 2.22% of Force) | Force time 119523.85 (73.58% of Runmd) | Shake time 1108.64 ( 0.68% of Runmd) | Verlet update time 5939.36 ( 3.66% of Runmd) | Ekcmr time 15617.40 ( 9.61% of Runmd) | CRD distribute time 17768.71 (10.94% of Runmd) | Other 2478.40 ( 1.53% of Runmd) | Runmd Time 162436.37 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 4 | Build the list 19029.01 (79.94% of List ) | Other 4775.42 (20.06% of List ) | List time 23804.42 (24.49% of Nonbo) | Short_ene time 32878.01 (73.57% of Direc) | Other 11813.85 (26.43% of Direc) | Direct Ewald time 44691.87 (60.89% of Ewald) | Adjust Ewald time 532.48 ( 0.73% of Ewald) | Fill Bspline coeffs 3544.08 (17.51% of Recip) | Fill charge grid 1425.41 ( 7.04% of Recip) | Scalar sum 2812.30 (13.90% of Recip) | Grad sum 2105.29 (10.40% of Recip) | FFT back comm time 5847.41 (58.81% of FFT t) | Other 4096.09 (41.19% of FFT t) | FFT time 9943.50 (49.13% of Recip) | Other 408.40 ( 2.02% of Recip) | Recip Ewald time 20238.97 (27.57% of Ewald) | Force Adjust 4360.48 ( 5.94% of Ewald) | Virial junk 3563.86 ( 4.86% of Ewald) | Other 8.09 ( 0.01% of Ewald) | Ewald time 73400.60 (75.51% of Nonbo) | Other 5.91 ( 0.01% of Nonbo) | Nonbond force 97211.92 (81.61% of Force) | Bond/Angle/Dihedral 638.52 ( 0.54% of Force) | FRC Collect time 18668.57 (15.67% of Force) | Other 2604.56 ( 2.19% of Force) | Force time 119123.57 (73.34% of Runmd) | Shake time 1137.11 ( 0.70% of Runmd) | Verlet update time 5791.19 ( 3.57% of Runmd) | Ekcmr time 19373.91 (11.93% of Runmd) | CRD distribute time 14748.87 ( 9.08% of Runmd) | Other 2261.71 ( 1.39% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 5 | Build the list 19043.23 (80.04% of List ) | Other 4747.84 (19.96% of List ) | List time 23791.07 (24.47% of Nonbo) | Short_ene time 33690.90 (74.21% of Direc) | Other 11707.74 (25.79% of Direc) | Direct Ewald time 45398.65 (61.83% of Ewald) | Adjust Ewald time 527.83 ( 0.72% of Ewald) | Fill Bspline coeffs 3548.52 (17.48% of Recip) | Fill charge grid 1429.09 ( 7.04% of Recip) | Scalar sum 2804.48 (13.82% of Recip) | Grad sum 2107.76 (10.38% of Recip) | FFT back comm time 5785.42 (58.09% of FFT t) | Other 4173.16 (41.91% of FFT t) | FFT time 9958.58 (49.06% of Recip) | Other 449.46 ( 2.21% of Recip) | Recip Ewald time 20297.88 (27.64% of Ewald) | Force Adjust 3654.94 ( 4.98% of Ewald) | Virial junk 3536.21 ( 4.82% of Ewald) | Other 8.31 ( 0.01% of Ewald) | Ewald time 73429.08 (75.52% of Nonbo) | Other 6.54 ( 0.01% of Nonbo) | Nonbond force 97227.75 (81.61% of Force) | Bond/Angle/Dihedral 645.91 ( 0.54% of Force) | FRC Collect time 18660.70 (15.66% of Force) | Other 2608.99 ( 2.19% of Force) | Force time 119143.34 (73.35% of Runmd) | Shake time 1133.53 ( 0.70% of Runmd) | Verlet update time 5879.42 ( 3.62% of Runmd) | Ekcmr time 18337.57 (11.29% of Runmd) | CRD distribute time 15629.79 ( 9.62% of Runmd) | Other 2312.70 ( 1.42% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 6 | Build the list 19047.98 (80.16% of List ) | Other 4715.84 (19.84% of List ) | List time 23763.82 (24.45% of Nonbo) | Short_ene time 34500.33 (74.29% of Direc) | Other 11936.62 (25.71% of Direc) | Direct Ewald time 46436.95 (63.23% of Ewald) | Adjust Ewald time 527.66 ( 0.72% of Ewald) | Fill Bspline coeffs 3564.84 (17.55% of Recip) | Fill charge grid 1432.83 ( 7.06% of Recip) | Scalar sum 2800.27 (13.79% of Recip) | Grad sum 2099.23 (10.34% of Recip) | FFT back comm time 5783.21 (58.03% of FFT t) | Other 4182.99 (41.97% of FFT t) | FFT time 9966.19 (49.07% of Recip) | Other 445.31 ( 2.19% of Recip) | Recip Ewald time 20308.68 (27.65% of Ewald) | Force Adjust 2586.28 ( 3.52% of Ewald) | Virial junk 3567.78 ( 4.86% of Ewald) | Other 8.28 ( 0.01% of Ewald) | Ewald time 73441.08 (75.55% of Nonbo) | Other 6.82 ( 0.01% of Nonbo) | Nonbond force 97212.84 (81.60% of Force) | Bond/Angle/Dihedral 639.27 ( 0.54% of Force) | FRC Collect time 18650.95 (15.65% of Force) | Other 2636.27 ( 2.21% of Force) | Force time 119139.33 (73.35% of Runmd) | Shake time 1133.66 ( 0.70% of Runmd) | Verlet update time 5856.62 ( 3.61% of Runmd) | Ekcmr time 17865.08 (11.00% of Runmd) | CRD distribute time 16171.11 ( 9.96% of Runmd) | Other 2270.56 ( 1.40% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 7 | Build the list 19111.22 (80.57% of List ) | Other 4609.69 (19.43% of List ) | List time 23720.92 (24.39% of Nonbo) | Short_ene time 32925.14 (73.52% of Direc) | Other 11858.87 (26.48% of Direc) | Direct Ewald time 44784.02 (60.92% of Ewald) | Adjust Ewald time 538.07 ( 0.73% of Ewald) | Fill Bspline coeffs 3593.09 (17.60% of Recip) | Fill charge grid 1428.23 ( 7.00% of Recip) | Scalar sum 2790.34 (13.67% of Recip) | Grad sum 2078.51 (10.18% of Recip) | FFT back comm time 5851.33 (58.31% of FFT t) | Other 4183.52 (41.69% of FFT t) | FFT time 10034.84 (49.16% of Recip) | Other 487.65 ( 2.39% of Recip) | Recip Ewald time 20412.66 (27.77% of Ewald) | Force Adjust 4224.10 ( 5.75% of Ewald) | Virial junk 3543.09 ( 4.82% of Ewald) | Start sycnronization 3.85 ( 0.01% of Ewald) | Other 9.05 ( 0.01% of Ewald) | Ewald time 73517.02 (75.60% of Nonbo) | Other 6.45 ( 0.01% of Nonbo) | Nonbond force 97245.62 (81.61% of Force) | Bond/Angle/Dihedral 640.43 ( 0.54% of Force) | FRC Collect time 18675.23 (15.67% of Force) | Other 2593.48 ( 2.18% of Force) | Force time 119154.75 (73.35% of Runmd) | Shake time 1137.16 ( 0.70% of Runmd) | Verlet update time 5988.22 ( 3.69% of Runmd) | Ekcmr time 16340.02 (10.06% of Runmd) | CRD distribute time 17494.88 (10.77% of Runmd) | Other 2321.31 ( 1.43% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 8 | Build the list 19035.82 (80.00% of List ) | Other 4758.74 (20.00% of List ) | List time 23794.56 (24.47% of Nonbo) | Short_ene time 34126.18 (74.76% of Direc) | Other 11523.73 (25.24% of Direc) | Direct Ewald time 45649.92 (62.17% of Ewald) | Adjust Ewald time 521.12 ( 0.71% of Ewald) | Fill Bspline coeffs 3564.89 (17.61% of Recip) | Fill charge grid 1422.31 ( 7.02% of Recip) | Scalar sum 2804.27 (13.85% of Recip) | Grad sum 2068.08 (10.21% of Recip) | FFT back comm time 5865.01 (59.02% of FFT t) | Other 4073.11 (40.98% of FFT t) | FFT time 9938.12 (49.08% of Recip) | Other 450.88 ( 2.23% of Recip) | Recip Ewald time 20248.55 (27.58% of Ewald) | Force Adjust 3446.52 ( 4.69% of Ewald) | Virial junk 3546.90 ( 4.83% of Ewald) | Other 8.24 ( 0.01% of Ewald) | Ewald time 73426.51 (75.52% of Nonbo) | Other 6.38 ( 0.01% of Nonbo) | Nonbond force 97228.51 (82.35% of Force) | Bond/Angle/Dihedral 641.50 ( 0.54% of Force) | FRC Collect time 17615.00 (14.92% of Force) | Other 2576.00 ( 2.18% of Force) | Force time 118061.01 (72.68% of Runmd) | Shake time 1133.95 ( 0.70% of Runmd) | Verlet update time 6896.74 ( 4.25% of Runmd) | Ekcmr time 17500.84 (10.77% of Runmd) | CRD distribute time 16507.40 (10.16% of Runmd) | Other 2336.42 ( 1.44% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 9 | Build the list 19071.40 (80.37% of List ) | Other 4656.84 (19.63% of List ) | List time 23728.24 (24.41% of Nonbo) | Short_ene time 33668.43 (73.74% of Direc) | Other 11988.21 (26.26% of Direc) | Direct Ewald time 45656.64 (62.15% of Ewald) | Adjust Ewald time 531.55 ( 0.72% of Ewald) | Fill Bspline coeffs 3572.76 (17.58% of Recip) | Fill charge grid 1420.49 ( 6.99% of Recip) | Scalar sum 2802.84 (13.79% of Recip) | Grad sum 2075.03 (10.21% of Recip) | FFT back comm time 5805.20 (58.22% of FFT t) | Other 4165.60 (41.78% of FFT t) | FFT time 9970.80 (49.07% of Recip) | Other 478.04 ( 2.35% of Recip) | Recip Ewald time 20319.95 (27.66% of Ewald) | Force Adjust 3367.82 ( 4.58% of Ewald) | Virial junk 3566.36 ( 4.86% of Ewald) | Other 8.42 ( 0.01% of Ewald) | Ewald time 73456.14 (75.58% of Nonbo) | Other 6.49 ( 0.01% of Nonbo) | Nonbond force 97191.93 (82.31% of Force) | Bond/Angle/Dihedral 642.71 ( 0.54% of Force) | FRC Collect time 17595.36 (14.90% of Force) | Other 2650.49 ( 2.24% of Force) | Force time 118080.48 (72.69% of Runmd) | Shake time 1132.34 ( 0.70% of Runmd) | Verlet update time 6842.16 ( 4.21% of Runmd) | Ekcmr time 18289.68 (11.26% of Runmd) | CRD distribute time 15882.72 ( 9.78% of Runmd) | Other 2208.97 ( 1.36% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 10 | Build the list 19049.94 (80.01% of List ) | Other 4760.50 (19.99% of List ) | List time 23810.44 (24.49% of Nonbo) | Short_ene time 32606.57 (72.94% of Direc) | Other 12097.51 (27.06% of Direc) | Direct Ewald time 44704.07 (60.88% of Ewald) | Adjust Ewald time 530.47 ( 0.72% of Ewald) | Fill Bspline coeffs 3549.93 (17.49% of Recip) | Fill charge grid 1434.04 ( 7.07% of Recip) | Scalar sum 2798.66 (13.79% of Recip) | Grad sum 2094.02 (10.32% of Recip) | FFT back comm time 5809.25 (58.23% of FFT t) | Other 4166.81 (41.77% of FFT t) | FFT time 9976.06 (49.16% of Recip) | Other 439.91 ( 2.17% of Recip) | Recip Ewald time 20292.62 (27.64% of Ewald) | Force Adjust 4332.78 ( 5.90% of Ewald) | Virial junk 3552.35 ( 4.84% of Ewald) | Other 8.31 ( 0.01% of Ewald) | Ewald time 73425.67 (75.51% of Nonbo) | Other 6.46 ( 0.01% of Nonbo) | Nonbond force 97243.63 (82.35% of Force) | Bond/Angle/Dihedral 643.26 ( 0.54% of Force) | FRC Collect time 17589.52 (14.90% of Force) | Other 2603.11 ( 2.20% of Force) | Force time 118079.52 (72.69% of Runmd) | Shake time 1132.37 ( 0.70% of Runmd) | Verlet update time 6922.80 ( 4.26% of Runmd) | Ekcmr time 17042.06 (10.49% of Runmd) | CRD distribute time 16911.24 (10.41% of Runmd) | Other 2348.36 ( 1.45% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 11 | Build the list 19075.06 (80.31% of List ) | Other 4676.91 (19.69% of List ) | List time 23751.97 (24.44% of Nonbo) | Short_ene time 34806.23 (74.85% of Direc) | Other 11695.90 (25.15% of Direc) | Direct Ewald time 46502.13 (63.32% of Ewald) | Adjust Ewald time 519.25 ( 0.71% of Ewald) | Fill Bspline coeffs 3526.40 (17.35% of Recip) | Fill charge grid 1437.29 ( 7.07% of Recip) | Scalar sum 2795.35 (13.75% of Recip) | Grad sum 2096.06 (10.31% of Recip) | FFT back comm time 5778.25 (57.59% of FFT t) | Other 4255.74 (42.41% of FFT t) | FFT time 10033.99 (49.37% of Recip) | Other 435.75 ( 2.14% of Recip) | Recip Ewald time 20324.85 (27.67% of Ewald) | Force Adjust 2537.32 ( 3.45% of Ewald) | Virial junk 3546.52 ( 4.83% of Ewald) | Other 8.54 ( 0.01% of Ewald) | Ewald time 73444.15 (75.56% of Nonbo) | Other 6.87 ( 0.01% of Nonbo) | Nonbond force 97204.10 (82.31% of Force) | Bond/Angle/Dihedral 644.61 ( 0.55% of Force) | FRC Collect time 17565.12 (14.87% of Force) | Other 2678.13 ( 2.27% of Force) | Force time 118091.97 (72.70% of Runmd) | Shake time 1129.92 ( 0.70% of Runmd) | Verlet update time 6970.92 ( 4.29% of Runmd) | Ekcmr time 16179.99 ( 9.96% of Runmd) | CRD distribute time 17617.14 (10.85% of Runmd) | Other 2446.42 ( 1.51% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 12 | Build the list 19021.16 (80.03% of List ) | Other 4746.99 (19.97% of List ) | List time 23768.15 (24.45% of Nonbo) | Short_ene time 33102.01 (73.71% of Direc) | Other 11809.04 (26.29% of Direc) | Direct Ewald time 44911.05 (61.16% of Ewald) | Adjust Ewald time 522.70 ( 0.71% of Ewald) | Fill Bspline coeffs 3495.99 (17.25% of Recip) | Fill charge grid 1429.10 ( 7.05% of Recip) | Scalar sum 2807.31 (13.85% of Recip) | Grad sum 2114.19 (10.43% of Recip) | FFT back comm time 5881.32 (58.68% of FFT t) | Other 4141.17 (41.32% of FFT t) | FFT time 10022.48 (49.45% of Recip) | Other 398.70 ( 1.97% of Recip) | Recip Ewald time 20267.78 (27.60% of Ewald) | Force Adjust 4175.20 ( 5.69% of Ewald) | Virial junk 3538.10 ( 4.82% of Ewald) | Other 8.19 ( 0.01% of Ewald) | Ewald time 73428.03 (75.54% of Nonbo) | Other 6.32 ( 0.01% of Nonbo) | Nonbond force 97203.49 (82.34% of Force) | Bond/Angle/Dihedral 651.64 ( 0.55% of Force) | FRC Collect time 17591.56 (14.90% of Force) | Other 2607.59 ( 2.21% of Force) | Force time 118054.28 (72.68% of Runmd) | Shake time 1132.28 ( 0.70% of Runmd) | Verlet update time 6791.34 ( 4.18% of Runmd) | Ekcmr time 20345.31 (12.53% of Runmd) | CRD distribute time 14082.83 ( 8.67% of Runmd) | Other 2030.31 ( 1.25% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 13 | Build the list 19070.94 (80.36% of List ) | Other 4661.32 (19.64% of List ) | List time 23732.26 (24.41% of Nonbo) | Short_ene time 32768.06 (73.50% of Direc) | Other 11815.29 (26.50% of Direc) | Direct Ewald time 44583.35 (60.67% of Ewald) | Adjust Ewald time 527.91 ( 0.72% of Ewald) | Fill Bspline coeffs 3431.52 (16.85% of Recip) | Fill charge grid 1465.57 ( 7.20% of Recip) | Scalar sum 2799.43 (13.75% of Recip) | Grad sum 2123.89 (10.43% of Recip) | FFT back comm time 5815.63 (57.56% of FFT t) | Other 4288.48 (42.44% of FFT t) | FFT time 10104.11 (49.63% of Recip) | Other 435.20 ( 2.14% of Recip) | Recip Ewald time 20359.72 (27.71% of Ewald) | Force Adjust 4485.33 ( 6.10% of Ewald) | Virial junk 3513.85 ( 4.78% of Ewald) | Other 9.02 ( 0.01% of Ewald) | Ewald time 73485.01 (75.58% of Nonbo) | Other 6.69 ( 0.01% of Nonbo) | Nonbond force 97225.16 (82.35% of Force) | Bond/Angle/Dihedral 644.54 ( 0.55% of Force) | FRC Collect time 17579.83 (14.89% of Force) | Other 2620.50 ( 2.22% of Force) | Force time 118070.04 (72.69% of Runmd) | Shake time 1131.56 ( 0.70% of Runmd) | Verlet update time 6882.62 ( 4.24% of Runmd) | Ekcmr time 17695.11 (10.89% of Runmd) | CRD distribute time 16492.92 (10.15% of Runmd) | Other 2164.11 ( 1.33% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 14 | Build the list 19054.39 (80.10% of List ) | Other 4734.30 (19.90% of List ) | List time 23788.68 (24.47% of Nonbo) | Short_ene time 33405.82 (72.12% of Direc) | Other 12917.07 (27.88% of Direc) | Direct Ewald time 46322.89 (63.09% of Ewald) | Adjust Ewald time 519.30 ( 0.71% of Ewald) | Fill Bspline coeffs 3543.31 (17.45% of Recip) | Fill charge grid 1406.57 ( 6.93% of Recip) | Scalar sum 2800.79 (13.79% of Recip) | Grad sum 2148.06 (10.58% of Recip) | FFT back comm time 5801.21 (57.96% of FFT t) | Other 4208.43 (42.04% of FFT t) | FFT time 10009.65 (49.29% of Recip) | Other 399.61 ( 1.97% of Recip) | Recip Ewald time 20307.98 (27.66% of Ewald) | Force Adjust 2729.64 ( 3.72% of Ewald) | Virial junk 3535.41 ( 4.81% of Ewald) | Other 8.00 ( 0.01% of Ewald) | Ewald time 73428.40 (75.52% of Nonbo) | Other 6.47 ( 0.01% of Nonbo) | Nonbond force 97224.58 (82.35% of Force) | Bond/Angle/Dihedral 649.54 ( 0.55% of Force) | FRC Collect time 17573.05 (14.88% of Force) | Other 2620.62 ( 2.22% of Force) | Force time 118067.79 (72.69% of Runmd) | Shake time 1130.44 ( 0.70% of Runmd) | Verlet update time 6816.60 ( 4.20% of Runmd) | Ekcmr time 18804.62 (11.58% of Runmd) | CRD distribute time 15535.46 ( 9.56% of Runmd) | Other 2081.44 ( 1.28% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 15 | Build the list 19061.43 (80.09% of List ) | Other 4737.41 (19.91% of List ) | List time 23798.84 (24.48% of Nonbo) | Short_ene time 31916.71 (72.46% of Direc) | Other 12132.70 (27.54% of Direc) | Direct Ewald time 44049.41 (59.99% of Ewald) | Adjust Ewald time 529.44 ( 0.72% of Ewald) | Fill Bspline coeffs 3448.28 (16.95% of Recip) | Fill charge grid 1441.30 ( 7.09% of Recip) | Scalar sum 2800.40 (13.77% of Recip) | Grad sum 2131.68 (10.48% of Recip) | FFT back comm time 5820.75 (57.76% of FFT t) | Other 4256.88 (42.24% of FFT t) | FFT time 10077.63 (49.54% of Recip) | Other 441.93 ( 2.17% of Recip) | Recip Ewald time 20341.21 (27.70% of Ewald) | Force Adjust 4976.09 ( 6.78% of Ewald) | Virial junk 3519.96 ( 4.79% of Ewald) | Other 8.56 ( 0.01% of Ewald) | Ewald time 73430.13 (75.52% of Nonbo) | Other 6.86 ( 0.01% of Nonbo) | Nonbond force 97236.95 (82.35% of Force) | Bond/Angle/Dihedral 644.28 ( 0.55% of Force) | FRC Collect time 17606.71 (14.91% of Force) | Other 2592.83 ( 2.20% of Force) | Force time 118080.78 (72.69% of Runmd) | Shake time 1131.76 ( 0.70% of Runmd) | Verlet update time 6939.79 ( 4.27% of Runmd) | Ekcmr time 16585.97 (10.21% of Runmd) | CRD distribute time 17572.89 (10.82% of Runmd) | Other 2125.16 ( 1.31% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 16 | Build the list 19031.62 (79.95% of List ) | Other 4771.74 (20.05% of List ) | List time 23803.36 (24.49% of Nonbo) | Short_ene time 32057.88 (73.03% of Direc) | Other 11841.34 (26.97% of Direc) | Direct Ewald time 43899.23 (59.82% of Ewald) | Adjust Ewald time 559.50 ( 0.76% of Ewald) | Fill Bspline coeffs 3469.89 (17.14% of Recip) | Fill charge grid 1455.85 ( 7.19% of Recip) | Scalar sum 2804.24 (13.85% of Recip) | Grad sum 2129.77 (10.52% of Recip) | FFT back comm time 5802.91 (58.21% of FFT t) | Other 4165.38 (41.79% of FFT t) | FFT time 9968.29 (49.23% of Recip) | Other 420.26 ( 2.08% of Recip) | Recip Ewald time 20248.30 (27.59% of Ewald) | Force Adjust 5215.47 ( 7.11% of Ewald) | Virial junk 3447.13 ( 4.70% of Ewald) | Other 8.35 ( 0.01% of Ewald) | Ewald time 73383.21 (75.50% of Nonbo) | Other 6.41 ( 0.01% of Nonbo) | Nonbond force 97194.01 (83.18% of Force) | Bond/Angle/Dihedral 646.79 ( 0.55% of Force) | FRC Collect time 16413.78 (14.05% of Force) | Other 2588.31 ( 2.22% of Force) | Force time 116842.89 (71.93% of Runmd) | Shake time 1132.38 ( 0.70% of Runmd) | Verlet update time 8055.59 ( 4.96% of Runmd) | Ekcmr time 17506.69 (10.78% of Runmd) | CRD distribute time 16526.00 (10.17% of Runmd) | Other 2372.81 ( 1.46% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 17 | Build the list 19069.56 (80.34% of List ) | Other 4667.91 (19.66% of List ) | List time 23737.47 (24.42% of Nonbo) | Short_ene time 31620.45 (72.72% of Direc) | Other 11861.33 (27.28% of Direc) | Direct Ewald time 43481.79 (59.20% of Ewald) | Adjust Ewald time 543.71 ( 0.74% of Ewald) | Fill Bspline coeffs 3537.49 (17.38% of Recip) | Fill charge grid 1452.00 ( 7.14% of Recip) | Scalar sum 2799.91 (13.76% of Recip) | Grad sum 2128.19 (10.46% of Recip) | FFT back comm time 5745.34 (57.52% of FFT t) | Other 4242.42 (42.48% of FFT t) | FFT time 9987.77 (49.08% of Recip) | Other 442.60 ( 2.18% of Recip) | Recip Ewald time 20347.95 (27.70% of Ewald) | Force Adjust 5618.67 ( 7.65% of Ewald) | Virial junk 3443.41 ( 4.69% of Ewald) | Start sycnronization 3.71 ( 0.01% of Ewald) | Other 9.10 ( 0.01% of Ewald) | Ewald time 73450.50 (75.57% of Nonbo) | Other 7.11 ( 0.01% of Nonbo) | Nonbond force 97196.28 (83.18% of Force) | Bond/Angle/Dihedral 650.28 ( 0.56% of Force) | FRC Collect time 16391.49 (14.03% of Force) | Other 2617.79 ( 2.24% of Force) | Force time 116855.84 (71.94% of Runmd) | Shake time 1136.25 ( 0.70% of Runmd) | Verlet update time 8076.51 ( 4.97% of Runmd) | Ekcmr time 17610.70 (10.84% of Runmd) | CRD distribute time 16413.04 (10.10% of Runmd) | Other 2344.00 ( 1.44% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 18 | Build the list 19060.21 (80.16% of List ) | Other 4718.82 (19.84% of List ) | List time 23779.04 (24.46% of Nonbo) | Short_ene time 31256.29 (72.24% of Direc) | Other 12013.20 (27.76% of Direc) | Direct Ewald time 43269.49 (58.94% of Ewald) | Adjust Ewald time 530.91 ( 0.72% of Ewald) | Fill Bspline coeffs 3535.85 (17.41% of Recip) | Fill charge grid 1447.70 ( 7.13% of Recip) | Scalar sum 2797.85 (13.77% of Recip) | Grad sum 2134.36 (10.51% of Recip) | FFT back comm time 5742.29 (57.61% of FFT t) | Other 4224.66 (42.39% of FFT t) | FFT time 9966.95 (49.07% of Recip) | Other 430.61 ( 2.12% of Recip) | Recip Ewald time 20313.32 (27.67% of Ewald) | Force Adjust 5825.94 ( 7.94% of Ewald) | Virial junk 3459.23 ( 4.71% of Ewald) | Other 8.70 ( 0.01% of Ewald) | Ewald time 73413.04 (75.53% of Nonbo) | Other 6.65 ( 0.01% of Nonbo) | Nonbond force 97199.85 (83.17% of Force) | Bond/Angle/Dihedral 648.71 ( 0.56% of Force) | FRC Collect time 16404.94 (14.04% of Force) | Other 2618.39 ( 2.24% of Force) | Force time 116871.90 (71.95% of Runmd) | Shake time 1130.19 ( 0.70% of Runmd) | Verlet update time 8074.75 ( 4.97% of Runmd) | Ekcmr time 17499.07 (10.77% of Runmd) | CRD distribute time 16575.01 (10.20% of Runmd) | Other 2285.43 ( 1.41% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 19 | Build the list 19061.56 (80.00% of List ) | Other 4765.83 (20.00% of List ) | List time 23827.39 (24.51% of Nonbo) | Short_ene time 31578.27 (71.61% of Direc) | Other 12520.85 (28.39% of Direc) | Direct Ewald time 44099.12 (60.10% of Ewald) | Adjust Ewald time 576.50 ( 0.79% of Ewald) | Fill Bspline coeffs 3564.31 (17.58% of Recip) | Fill charge grid 1405.87 ( 6.93% of Recip) | Scalar sum 2798.98 (13.80% of Recip) | Grad sum 2146.33 (10.58% of Recip) | FFT back comm time 5720.64 (57.44% of FFT t) | Other 4238.85 (42.56% of FFT t) | FFT time 9959.50 (49.11% of Recip) | Other 405.57 ( 2.00% of Recip) | Recip Ewald time 20280.56 (27.64% of Ewald) | Force Adjust 4948.85 ( 6.74% of Ewald) | Virial junk 3463.28 ( 4.72% of Ewald) | Other 7.98 ( 0.01% of Ewald) | Ewald time 73381.25 (75.48% of Nonbo) | Other 6.11 ( 0.01% of Nonbo) | Nonbond force 97215.79 (83.18% of Force) | Bond/Angle/Dihedral 649.73 ( 0.56% of Force) | FRC Collect time 16379.94 (14.01% of Force) | Other 2629.85 ( 2.25% of Force) | Force time 116875.31 (71.95% of Runmd) | Shake time 1131.49 ( 0.70% of Runmd) | Verlet update time 8167.12 ( 5.03% of Runmd) | Ekcmr time 16141.85 ( 9.94% of Runmd) | CRD distribute time 17751.57 (10.93% of Runmd) | Other 2369.02 ( 1.46% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 20 | Build the list 19023.13 (79.94% of List ) | Other 4774.83 (20.06% of List ) | List time 23797.96 (24.49% of Nonbo) | Short_ene time 31193.57 (72.47% of Direc) | Other 11849.09 (27.53% of Direc) | Direct Ewald time 43042.67 (58.66% of Ewald) | Adjust Ewald time 529.99 ( 0.72% of Ewald) | Fill Bspline coeffs 3541.33 (17.50% of Recip) | Fill charge grid 1431.49 ( 7.07% of Recip) | Scalar sum 2802.71 (13.85% of Recip) | Grad sum 2133.76 (10.54% of Recip) | FFT back comm time 5787.65 (58.37% of FFT t) | Other 4127.57 (41.63% of FFT t) | FFT time 9915.23 (48.99% of Recip) | Other 415.79 ( 2.05% of Recip) | Recip Ewald time 20240.30 (27.58% of Ewald) | Force Adjust 6110.47 ( 8.33% of Ewald) | Virial junk 3439.64 ( 4.69% of Ewald) | Other 8.03 ( 0.01% of Ewald) | Ewald time 73375.99 (75.50% of Nonbo) | Other 6.34 ( 0.01% of Nonbo) | Nonbond force 97181.25 (83.18% of Force) | Bond/Angle/Dihedral 649.65 ( 0.56% of Force) | FRC Collect time 16399.89 (14.04% of Force) | Other 2604.97 ( 2.23% of Force) | Force time 116835.76 (71.93% of Runmd) | Shake time 1133.37 ( 0.70% of Runmd) | Verlet update time 8013.63 ( 4.93% of Runmd) | Ekcmr time 19479.11 (11.99% of Runmd) | CRD distribute time 14775.09 ( 9.10% of Runmd) | Other 2199.40 ( 1.35% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 21 | Build the list 19075.27 (80.31% of List ) | Other 4678.09 (19.69% of List ) | List time 23753.36 (24.43% of Nonbo) | Short_ene time 31558.84 (72.44% of Direc) | Other 12003.84 (27.56% of Direc) | Direct Ewald time 43562.68 (59.30% of Ewald) | Adjust Ewald time 563.36 ( 0.77% of Ewald) | Fill Bspline coeffs 3587.26 (17.63% of Recip) | Fill charge grid 1445.85 ( 7.10% of Recip) | Scalar sum 2799.11 (13.75% of Recip) | Grad sum 2145.00 (10.54% of Recip) | FFT back comm time 5733.47 (57.73% of FFT t) | Other 4198.90 (42.27% of FFT t) | FFT time 9932.37 (48.81% of Recip) | Other 441.20 ( 2.17% of Recip) | Recip Ewald time 20350.79 (27.70% of Ewald) | Force Adjust 5535.19 ( 7.54% of Ewald) | Virial junk 3429.88 ( 4.67% of Ewald) | Other 8.82 ( 0.01% of Ewald) | Ewald time 73456.40 (75.56% of Nonbo) | Other 6.85 ( 0.01% of Nonbo) | Nonbond force 97217.77 (83.20% of Force) | Bond/Angle/Dihedral 649.14 ( 0.56% of Force) | FRC Collect time 16382.42 (14.02% of Force) | Other 2594.27 ( 2.22% of Force) | Force time 116843.60 (71.93% of Runmd) | Shake time 1133.73 ( 0.70% of Runmd) | Verlet update time 8070.10 ( 4.97% of Runmd) | Ekcmr time 18465.15 (11.37% of Runmd) | CRD distribute time 15624.81 ( 9.62% of Runmd) | Other 2298.97 ( 1.42% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 22 | Build the list 19074.29 (80.24% of List ) | Other 4698.60 (19.76% of List ) | List time 23772.89 (24.46% of Nonbo) | Short_ene time 31359.37 (72.28% of Direc) | Other 12024.51 (27.72% of Direc) | Direct Ewald time 43383.88 (59.09% of Ewald) | Adjust Ewald time 550.40 ( 0.75% of Ewald) | Fill Bspline coeffs 3547.38 (17.47% of Recip) | Fill charge grid 1455.16 ( 7.16% of Recip) | Scalar sum 2804.09 (13.81% of Recip) | Grad sum 2129.28 (10.48% of Recip) | FFT back comm time 5725.30 (57.65% of FFT t) | Other 4206.31 (42.35% of FFT t) | FFT time 9931.61 (48.90% of Recip) | Other 442.61 ( 2.18% of Recip) | Recip Ewald time 20310.14 (27.66% of Ewald) | Force Adjust 5705.72 ( 7.77% of Ewald) | Virial junk 3454.41 ( 4.71% of Ewald) | Other 8.59 ( 0.01% of Ewald) | Ewald time 73418.52 (75.53% of Nonbo) | Other 6.57 ( 0.01% of Nonbo) | Nonbond force 97199.11 (83.18% of Force) | Bond/Angle/Dihedral 651.79 ( 0.56% of Force) | FRC Collect time 16396.02 (14.03% of Force) | Other 2612.85 ( 2.24% of Force) | Force time 116859.77 (71.94% of Runmd) | Shake time 1127.49 ( 0.69% of Runmd) | Verlet update time 8080.55 ( 4.97% of Runmd) | Ekcmr time 17985.68 (11.07% of Runmd) | CRD distribute time 16142.25 ( 9.94% of Runmd) | Other 2240.62 ( 1.38% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 23 | Build the list 19067.38 (80.33% of List ) | Other 4669.95 (19.67% of List ) | List time 23737.32 (24.44% of Nonbo) | Short_ene time 31421.03 (72.43% of Direc) | Other 11962.13 (27.57% of Direc) | Direct Ewald time 43383.16 (59.11% of Ewald) | Adjust Ewald time 551.49 ( 0.75% of Ewald) | Fill Bspline coeffs 3561.14 (17.53% of Recip) | Fill charge grid 1442.72 ( 7.10% of Recip) | Scalar sum 3051.27 (15.02% of Recip) | Grad sum 2141.12 (10.54% of Recip) | FFT back comm time 5779.58 (59.75% of FFT t) | Other 3892.98 (40.25% of FFT t) | FFT time 9672.56 (47.61% of Recip) | Other 445.81 ( 2.19% of Recip) | Recip Ewald time 20314.61 (27.68% of Ewald) | Force Adjust 5680.30 ( 7.74% of Ewald) | Virial junk 3452.09 ( 4.70% of Ewald) | Other 8.60 ( 0.01% of Ewald) | Ewald time 73395.68 (75.56% of Nonbo) | Other 6.11 ( 0.01% of Nonbo) | Nonbond force 97140.24 (83.12% of Force) | Bond/Angle/Dihedral 648.67 ( 0.56% of Force) | FRC Collect time 16403.39 (14.04% of Force) | Other 2671.41 ( 2.29% of Force) | Force time 116863.71 (71.94% of Runmd) | Shake time 1130.91 ( 0.70% of Runmd) | Verlet update time 8154.02 ( 5.02% of Runmd) | Ekcmr time 16519.83 (10.17% of Runmd) | CRD distribute time 17485.26 (10.76% of Runmd) | Other 2282.62 ( 1.41% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 24 | Build the list 19021.42 (79.89% of List ) | Other 4789.29 (20.11% of List ) | List time 23810.71 (24.50% of Nonbo) | Short_ene time 32197.62 (72.37% of Direc) | Other 12292.23 (27.63% of Direc) | Direct Ewald time 44489.85 (60.64% of Ewald) | Adjust Ewald time 563.17 ( 0.77% of Ewald) | Fill Bspline coeffs 3508.33 (17.35% of Recip) | Fill charge grid 1355.21 ( 6.70% of Recip) | Scalar sum 2795.68 (13.83% of Recip) | Grad sum 2045.76 (10.12% of Recip) | FFT back comm time 5749.79 (57.52% of FFT t) | Other 4246.38 (42.48% of FFT t) | FFT time 9996.17 (49.44% of Recip) | Other 519.56 ( 2.57% of Recip) | Recip Ewald time 20220.70 (27.56% of Ewald) | Force Adjust 4640.75 ( 6.33% of Ewald) | Virial junk 3436.70 ( 4.68% of Ewald) | Other 8.25 ( 0.01% of Ewald) | Ewald time 73364.39 (75.49% of Nonbo) | Other 6.46 ( 0.01% of Nonbo) | Nonbond force 97182.55 (83.18% of Force) | Bond/Angle/Dihedral 648.49 ( 0.56% of Force) | FRC Collect time 16408.82 (14.04% of Force) | Other 2596.17 ( 2.22% of Force) | Force time 116836.04 (71.93% of Runmd) | Shake time 1133.21 ( 0.70% of Runmd) | Verlet update time 8033.81 ( 4.95% of Runmd) | Ekcmr time 17583.94 (10.83% of Runmd) | CRD distribute time 16521.65 (10.17% of Runmd) | Other 2327.70 ( 1.43% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 25 | Build the list 19061.79 (80.23% of List ) | Other 4697.87 (19.77% of List ) | List time 23759.66 (24.45% of Nonbo) | Short_ene time 31622.76 (72.68% of Direc) | Other 11887.14 (27.32% of Direc) | Direct Ewald time 43509.91 (59.27% of Ewald) | Adjust Ewald time 523.28 ( 0.71% of Ewald) | Fill Bspline coeffs 3481.17 (17.14% of Recip) | Fill charge grid 1355.78 ( 6.68% of Recip) | Scalar sum 2797.57 (13.78% of Recip) | Grad sum 2044.58 (10.07% of Recip) | FFT back comm time 5666.51 (56.29% of FFT t) | Other 4399.51 (43.71% of FFT t) | FFT time 10066.03 (49.57% of Recip) | Other 560.62 ( 2.76% of Recip) | Recip Ewald time 20305.75 (27.66% of Ewald) | Force Adjust 5622.31 ( 7.66% of Ewald) | Virial junk 3433.36 ( 4.68% of Ewald) | Other 8.88 ( 0.01% of Ewald) | Ewald time 73408.75 (75.54% of Nonbo) | Other 6.77 ( 0.01% of Nonbo) | Nonbond force 97176.24 (83.17% of Force) | Bond/Angle/Dihedral 651.22 ( 0.56% of Force) | FRC Collect time 16382.81 (14.02% of Force) | Other 2636.01 ( 2.26% of Force) | Force time 116846.27 (71.93% of Runmd) | Shake time 1130.99 ( 0.70% of Runmd) | Verlet update time 8030.27 ( 4.94% of Runmd) | Ekcmr time 18333.37 (11.29% of Runmd) | CRD distribute time 15886.75 ( 9.78% of Runmd) | Other 2208.70 ( 1.36% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 26 | Build the list 19065.13 (80.14% of List ) | Other 4723.68 (19.86% of List ) | List time 23788.81 (24.47% of Nonbo) | Short_ene time 31964.79 (72.26% of Direc) | Other 12270.36 (27.74% of Direc) | Direct Ewald time 44235.15 (60.26% of Ewald) | Adjust Ewald time 555.52 ( 0.76% of Ewald) | Fill Bspline coeffs 3231.40 (15.92% of Recip) | Fill charge grid 1083.06 ( 5.33% of Recip) | Scalar sum 1871.01 ( 9.22% of Recip) | Grad sum 1582.28 ( 7.79% of Recip) | FFT back comm time 5665.50 (50.60% of FFT t) | Other 5530.49 (49.40% of FFT t) | FFT time 11195.98 (55.15% of Recip) | Other 1337.72 ( 6.59% of Recip) | Recip Ewald time 20301.46 (27.66% of Ewald) | Force Adjust 4835.54 ( 6.59% of Ewald) | Virial junk 3460.11 ( 4.71% of Ewald) | Other 8.72 ( 0.01% of Ewald) | Ewald time 73401.82 (75.52% of Nonbo) | Other 6.55 ( 0.01% of Nonbo) | Nonbond force 97198.31 (83.17% of Force) | Bond/Angle/Dihedral 652.76 ( 0.56% of Force) | FRC Collect time 16399.26 (14.03% of Force) | Other 2613.68 ( 2.24% of Force) | Force time 116864.01 (71.94% of Runmd) | Shake time 1127.88 ( 0.69% of Runmd) | Verlet update time 8064.10 ( 4.96% of Runmd) | Ekcmr time 17145.23 (10.56% of Runmd) | CRD distribute time 16894.42 (10.40% of Runmd) | Other 2340.73 ( 1.44% of Runmd) | Runmd Time 162436.36 (100.0% of Total) | Total time 162437.97 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 27 | Build the list 19065.06 (80.21% of List ) | Other 4704.92 (19.79% of List ) | List time 23769.98 (24.46% of Nonbo) | Short_ene time 32797.17 (73.52% of Direc) | Other 11812.20 (26.48% of Direc) | Direct Ewald time 44609.37 (60.77% of Ewald) | Adjust Ewald time 577.35 ( 0.79% of Ewald) | Fill Bspline coeffs 3186.24 (15.68% of Recip) | Fill charge grid 1090.68 ( 5.37% of Recip) | Scalar sum 1870.85 ( 9.21% of Recip) | Grad sum 1562.81 ( 7.69% of Recip) | FFT back comm time 5645.09 (50.11% of FFT t) | Other 5620.12 (49.89% of FFT t) | FFT time 11265.21 (55.43% of Recip) | Other 1346.93 ( 6.63% of Recip) | Recip Ewald time 20322.72 (27.68% of Ewald) | Force Adjust 4440.20 ( 6.05% of Ewald) | Virial junk 3446.35 ( 4.69% of Ewald) | Other 9.06 ( 0.01% of Ewald) | Ewald time 73410.76 (75.53% of Nonbo) | Other 7.06 ( 0.01% of Nonbo) | Nonbond force 97189.02 (83.16% of Force) | Bond/Angle/Dihedral 650.37 ( 0.56% of Force) | FRC Collect time 16366.37 (14.00% of Force) | Other 2661.96 ( 2.28% of Force) | Force time 116867.73 (71.95% of Runmd) | Shake time 1132.57 ( 0.70% of Runmd) | Verlet update time 8102.98 ( 4.99% of Runmd) | Ekcmr time 16304.43 (10.04% of Runmd) | CRD distribute time 17605.93 (10.84% of Runmd) | Other 2422.72 ( 1.49% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.96 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 28 | Build the list 19033.30 (80.01% of List ) | Other 4755.51 (19.99% of List ) | List time 23788.82 (24.47% of Nonbo) | Short_ene time 31537.58 (72.59% of Direc) | Other 11911.04 (27.41% of Direc) | Direct Ewald time 43448.62 (59.19% of Ewald) | Adjust Ewald time 548.46 ( 0.75% of Ewald) | Fill Bspline coeffs 3175.20 (15.67% of Recip) | Fill charge grid 1052.63 ( 5.19% of Recip) | Scalar sum 1871.95 ( 9.24% of Recip) | Grad sum 1570.25 ( 7.75% of Recip) | FFT back comm time 5786.99 (51.31% of FFT t) | Other 5491.98 (48.69% of FFT t) | FFT time 11278.97 (55.66% of Recip) | Other 1313.68 ( 6.48% of Recip) | Recip Ewald time 20262.69 (27.61% of Ewald) | Force Adjust 5686.36 ( 7.75% of Ewald) | Virial junk 3440.69 ( 4.69% of Ewald) | Other 8.49 ( 0.01% of Ewald) | Ewald time 73400.39 (75.52% of Nonbo) | Other 6.56 ( 0.01% of Nonbo) | Nonbond force 97196.82 (83.20% of Force) | Bond/Angle/Dihedral 656.07 ( 0.56% of Force) | FRC Collect time 16372.15 (14.01% of Force) | Other 2600.71 ( 2.23% of Force) | Force time 116825.75 (71.92% of Runmd) | Shake time 1131.43 ( 0.70% of Runmd) | Verlet update time 7960.65 ( 4.90% of Runmd) | Ekcmr time 20403.89 (12.56% of Runmd) | CRD distribute time 14076.19 ( 8.67% of Runmd) | Other 2038.46 ( 1.25% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 29 | Build the list 19054.67 (80.13% of List ) | Other 4725.37 (19.87% of List ) | List time 23780.04 (24.47% of Nonbo) | Short_ene time 33080.18 (73.78% of Direc) | Other 11758.59 (26.22% of Direc) | Direct Ewald time 44838.77 (61.08% of Ewald) | Adjust Ewald time 596.39 ( 0.81% of Ewald) | Fill Bspline coeffs 3151.18 (15.51% of Recip) | Fill charge grid 1055.00 ( 5.19% of Recip) | Scalar sum 1868.60 ( 9.20% of Recip) | Grad sum 1569.76 ( 7.73% of Recip) | FFT back comm time 5744.66 (50.71% of FFT t) | Other 5584.06 (49.29% of FFT t) | FFT time 11328.73 (55.78% of Recip) | Other 1337.45 ( 6.58% of Recip) | Recip Ewald time 20310.71 (27.67% of Ewald) | Force Adjust 4218.65 ( 5.75% of Ewald) | Virial junk 3429.35 ( 4.67% of Ewald) | Other 8.32 ( 0.01% of Ewald) | Ewald time 73407.42 (75.53% of Nonbo) | Other 6.65 ( 0.01% of Nonbo) | Nonbond force 97195.20 (83.19% of Force) | Bond/Angle/Dihedral 657.92 ( 0.56% of Force) | FRC Collect time 16357.01 (14.00% of Force) | Other 2623.40 ( 2.25% of Force) | Force time 116833.53 (71.93% of Runmd) | Shake time 1131.77 ( 0.70% of Runmd) | Verlet update time 8067.84 ( 4.97% of Runmd) | Ekcmr time 17753.96 (10.93% of Runmd) | CRD distribute time 16482.60 (10.15% of Runmd) | Other 2166.65 ( 1.33% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 30 | Build the list 19067.70 (80.27% of List ) | Other 4685.53 (19.73% of List ) | List time 23753.23 (24.44% of Nonbo) | Short_ene time 32924.36 (73.44% of Direc) | Other 11909.43 (26.56% of Direc) | Direct Ewald time 44833.78 (61.07% of Ewald) | Adjust Ewald time 601.90 ( 0.82% of Ewald) | Fill Bspline coeffs 3261.75 (16.06% of Recip) | Fill charge grid 1016.66 ( 5.00% of Recip) | Scalar sum 1865.37 ( 9.18% of Recip) | Grad sum 1561.92 ( 7.69% of Recip) | FFT back comm time 5764.72 (51.06% of FFT t) | Other 5524.28 (48.94% of FFT t) | FFT time 11289.01 (55.57% of Recip) | Other 1319.09 ( 6.49% of Recip) | Recip Ewald time 20313.80 (27.67% of Ewald) | Force Adjust 4173.39 ( 5.68% of Ewald) | Virial junk 3475.55 ( 4.73% of Ewald) | Other 8.60 ( 0.01% of Ewald) | Ewald time 73412.61 (75.55% of Nonbo) | Other 6.60 ( 0.01% of Nonbo) | Nonbond force 97173.62 (83.16% of Force) | Bond/Angle/Dihedral 746.30 ( 0.64% of Force) | FRC Collect time 16370.68 (14.01% of Force) | Other 2558.21 ( 2.19% of Force) | Force time 116848.81 (71.94% of Runmd) | Shake time 1129.26 ( 0.70% of Runmd) | Verlet update time 7994.80 ( 4.92% of Runmd) | Ekcmr time 18846.94 (11.60% of Runmd) | CRD distribute time 15515.26 ( 9.55% of Runmd) | Other 2101.28 ( 1.29% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>PROFILE of TIMES for process 31 | Build the list 19063.72 (80.22% of List ) | Other 4701.45 (19.78% of List ) | List time 23765.17 (24.46% of Nonbo) | Short_ene time 29865.59 (72.01% of Direc) | Other 11607.11 (27.99% of Direc) | Direct Ewald time 41472.70 (56.51% of Ewald) | Adjust Ewald time 517.94 ( 0.71% of Ewald) | Fill Bspline coeffs 3176.31 (15.62% of Recip) | Fill charge grid 1042.54 ( 5.13% of Recip) | Scalar sum 1867.83 ( 9.19% of Recip) | Grad sum 1570.10 ( 7.72% of Recip) | FFT back comm time 5816.79 (51.21% of FFT t) | Other 5540.84 (48.79% of FFT t) | FFT time 11357.63 (55.87% of Recip) | Other 1314.12 ( 6.46% of Recip) | Recip Ewald time 20328.52 (27.70% of Ewald) | Force Adjust 7588.46 (10.34% of Ewald) | Virial junk 3472.58 ( 4.73% of Ewald) | Other 8.71 ( 0.01% of Ewald) | Ewald time 73394.45 (75.53% of Nonbo) | Other 6.84 ( 0.01% of Nonbo) | Nonbond force 97167.65 (83.15% of Force) | Bond/Angle/Dihedral 776.97 ( 0.66% of Force) | FRC Collect time 16389.76 (14.03% of Force) | Other 2521.15 ( 2.16% of Force) | Force time 116855.52 (71.94% of Runmd) | Shake time 1130.46 ( 0.70% of Runmd) | Verlet update time 8105.37 ( 4.99% of Runmd) | Ekcmr time 16603.92 (10.22% of Runmd) | CRD distribute time 17564.63 (10.81% of Runmd) | Other 2176.45 ( 1.34% of Runmd) | Runmd Time 162436.35 (100.0% of Total) | Total time 162437.98 (100.0% of ALL ) |>>>>>>>>Statistics of TIMES>>>>>>>>> |>>>>>>>>Printed as average time (min,max,sd) >>>>>>>>> | Build the list 19055.05 ( 19021.16 19111.22 19.25) | Other 4722.37 ( 4609.69 4789.29 42.76) | List time 23777.41 ( 23720.92 23827.39 27.77) | Short_ene time 32578.91 ( 29865.59 34806.23 1132.08) | Other 11945.86 ( 11523.73 12917.07 263.61) | Direct Ewald time 44524.76 ( 41472.70 46502.13 1121.26) | Adjust Ewald time 541.32 ( 517.94 601.90 22.19) | Fill Bspline coeffs 3464.98 ( 3151.18 3593.09 136.07) | Fill charge grid 1358.77 ( 1016.66 1465.57 147.25) | Scalar sum 2634.40 ( 1865.37 3051.27 370.12) | Grad sum 2007.62 ( 1561.92 2148.06 212.04) | FFT back comm time 5777.82 ( 5645.09 5881.32 55.67) | Other 4449.60 ( 3892.98 5620.12 534.24) | FFT time 10227.42 ( 9672.56 11357.63 513.89) | Other 610.54 ( 398.70 1346.93 346.23) | Recip Ewald time 20303.72 ( 20220.70 20412.66 39.28) | Force Adjust 4539.57 ( 2537.32 7588.46 1143.16) | Virial junk 3499.76 ( 3429.35 3587.06 53.40) | Other 8.50 ( 7.98 9.10 0.32) | Ewald time 73423.30 ( 73364.39 73517.02 31.03) | Other 6.57 ( 5.91 7.11 0.26) | Nonbond force 97208.38 ( 97140.24 97272.95 27.42) | Bond/Angle/Dihedral 653.50 ( 634.01 776.97 28.73) | FRC Collect time 17330.61 ( 16357.01 19628.76 1072.78) | Other 2612.14 ( 2521.15 2678.13 30.81) | Force time 117804.63 ( 116825.75 120078.86 1082.80) | Shake time 1163.37 ( 1107.12 1948.39 146.87) | Verlet update time 7522.47 ( 5245.38 16117.81 1798.24) | Ekcmr time 17295.45 ( 5217.27 20403.89 2460.37) | CRD distribute time 16368.58 ( 14076.19 17768.71 998.01) | Other 2281.94 ( 2030.31 2549.77 129.42) | Runmd Time 162436.44 ( 162436.35 162439.13 0.48) | Total time 162438.06 ( 162437.96 162440.74 0.48)