--- /dev/null
+ j 2 k 3
+ j 2 k 4
+ j 2 k 5
+ j 2 k 6
+ j 2 k 7
+ j 2 k 8
+ j 2 k 9
+ j 2 k 10
+ j 3 k 4
+ j 3 k 5
+ j 3 k 6
+ j 3 k 7
+ j 3 k 8
+ j 3 k 9
+ j 3 k 10
+ j 4 k 5
+ j 4 k 6
+ j 4 k 7
+ j 4 k 8
+ j 4 k 9
+ j 4 k 10
+ j 5 k 6
+ j 5 k 7
+ j 5 k 8
+ j 5 k 9
+ j 5 k 10
+ j 6 k 7
+ j 6 k 8
+ j 6 k 9
+ j 6 k 10
+ j 7 k 8
+ j 7 k 9
+ j 7 k 10
+ j 8 k 9
+ j 8 k 10
+ j 9 k 10
+====================MD calculation start====================
+ acceleration/energy drift too large 2.13096242389111
+ 11.7410818169311 split increased to 2 itime 1
+ itsplit 1
+ acceleration/energy drift too large 5.07491007787026
+ 34.7940511743258 split increased to 2 itime 2
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+ itsplit 1
+Momenta zeroed out, time 199.80
+Momenta zeroed out, time 399.80
+ acceleration/energy drift too large 4.79562004016923
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+ acceleration/energy drift too large 7.20890174861598
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+ acceleration/energy drift too large 3.95106129574166
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+Momenta zeroed out, time 599.80
+ acceleration/energy drift too large 3.98898405935474
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+ itsplit 1
+ acceleration/energy drift too large 3.7028 acceleration/energy drift too large 2.74399156322831
+ 17.6775997234638 split increased to Momenta zeroed out, time 799.80
+ acceleration/energy drift too large 3.77920310957882
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+ itsplit 1
+Momenta zeroed out, time 999.80
+Momenta zeroed out, time 1199.80
+ acceleration/energy drift too large 4.35346347708231
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+ acceleration/energy drift too large 2.22832303217936
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+ acceleration/energy drift too large 4.45703925472346
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+ acceleration/energy drift too large 5.12873465732896
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+Velocities reset to random values, time 1999.80
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+ acceleration/energy drift too large 3.74145759599747
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+Momenta zeroed out, time 2599.80
+ acceleration/energy drift too large 5.92454099155461
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+Momenta zeroed out, time 2999.80
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+ acceleration/energy drift too large 3.70521749076298
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+Momenta zeroed out, time 3599.80
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+ itsplit 1
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+ acceleration/energy drift too large 4.02133435041286 Velocities reset to random values, time 3999.80
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+ acceleration/energy drift too large 3.74775009500868
+ 16.5607727102752 split increased to 2 itime 20430
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+ acceleration/energy drift too large 3.84681253203338
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+ acceleration/energy drift too large 15.7198382933757
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+ acceleration/energy drift too large 6.27494921938800
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+ acceleration/energy drift too large 13.5295068894330
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+ acceleration/energy drift too large 7.51663874850350
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+Velocities reset to random values, time 15999.80
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+ acceleration/energy drift too large 4.50854971642850
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+ acceleration/energy drift too large 4.97820195654121
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+Momenta zeroed out, time 20599.80
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+Momenta zeroed out, time 20799.80
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+Velocities reset to random values, time 191999.80
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+ acceleration/energy drift too large 5.08970491567938
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+ acceleration/energy drift too large 3.22277690225160
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+ itsplit 1
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+ acceleration/energy drift too large 5.56724102366389
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+Momenta zeroed out, time 195999.80
+ acceleration/energy drift too large 5.32879067301076
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+Momenta zeroed out, time 196199.80
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+Momenta zeroed out, time 196399.80
+ acceleration/energy drift too large 8.51606989698796
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+Momenta zeroed out, time 196599.80
+ acceleration/energy drift too large 8.42928991853263
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+ acceleration/energy drift too large 10.8261057898290
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+Momenta zeroed out, time 196799.80
+ acceleration/energy drift too large 3.27958201199103
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+ itsplit 1
+Momenta zeroed out, time 196999.80
+ acceleration/energy drift too large 6.12048289291648
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+ itsplit 1
+Momenta zeroed out, time 197199.80
+Momenta zeroed out, time 197399.80
+ acceleration/energy drift too large 2.55391409849555
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+ itsplit 1
+Momenta zeroed out, time 197599.80
+ acceleration/energy drift too large 3.65469634187797
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+Momenta zeroed out, time 197799.80
+ acceleration/energy drift too large 8.24902536290480
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+ itsplit 1
+Velocities reset to random values, time 197999.80
+Momenta zeroed out, time 197999.80
+ acceleration/energy drift too large 11.4343148321719
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+ itsplit 1
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+ itsplit 1
+Momenta zeroed out, time 198199.80
+Momenta zeroed out, time 198399.80
+ acceleration/energy drift too large 5.19410250758931
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+ itsplit 1
+Momenta zeroed out, time 198599.80
+ acceleration/energy drift too large 7.58804028652694
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+ itsplit 1
+Momenta zeroed out, time 198799.80
+Momenta zeroed out, time 198999.80
+ acceleration/energy drift too large 2.26078484468134
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+ itsplit 1
+ acceleration/energy drift too large 11.3878521641082
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+ itsplit 1
+Momenta zeroed out, time 199199.80
+Momenta zeroed out, time 199399.80
+ acceleration/energy drift too large 18.0420275166525
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+ itsplit 1
+ acceleration/energy drift too large 6.24108822422071
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+ itsplit 1
+ acceleration/energy drift too large 4.50149274071399
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+ itsplit 1
+ acceleration/energy drift too large 4.29659171929309
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+ itsplit 1
+ acceleration/energy drift too large 2.89770626652682
+ 14.4682333977227 split increased to 2 itime 997839
+ itsplit 1
+Momenta zeroed out, time 199599.80
+Momenta zeroed out, time 199799.80
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 3.10191E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.28895E+02
+
+
+============================ End of MD calculation ===========================
+4368
+ itsplit 1
+Momenta zeroed out, time 198999.80
+ acceleration/energy drift too large 3.61674175613133
+ 12.8865290297937 split increased to 2 itime 995428
+ itsplit 1
+ acceleration/energy drift too large 4.05170068842274
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+ itsplit 1
+Momenta zeroed out, time 199199.80
+Momenta zeroed out, time 199399.80
+Momenta zeroed out, time 199599.80
+ acceleration/energy drift too large 6.01782540769379
+ 10.1071919619827 split increased to 2 itime 998224
+ itsplit 1
+ acceleration/energy drift too large 4.68388366687022
+ 32.7863501044106 split increased to 2 itime 998502
+ itsplit 1
+Momenta zeroed out, time 199799.80
+ acceleration/energy drift too large 4.16920743953922
+ 20.5148667962855 split increased to 2 itime 999184
+ itsplit 1
+ acceleration/energy drift too large 13.3242961262785
+ 72.6420917703085 split increased to 2 itime 999601
+ itsplit 1
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 3.10441E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.30016E+02
+
+
+============================ End of MD calculation ===========================
+ 20.0560260690292 split increased to 2 itime 992973
+ itsplit 1
+Momenta zeroed out, time 198599.80
+ acceleration/energy drift too large 5.09145448802677
+ 14.0376303032264 split increased to 2 itime 993792
+ itsplit 1
+Momenta zeroed out, time 198799.80
+ acceleration/energy drift too large 4.34945956642024
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+ itsplit 1
+ acceleration/energy drift too large 4.66748799505398
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+ itsplit 1
+ acceleration/energy drift too large 7.78631915313970
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+ itsplit 1
+Momenta zeroed out, time 198999.80
+ acceleration/energy drift too large 6.68168389643022
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+ itsplit 1
+ acceleration/energy drift too large 4.19964437395016
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+ itsplit 1
+ acceleration/energy drift too large 3.21997145721997
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+ itsplit 1
+Momenta zeroed out, time 199199.80
+ acceleration/energy drift too large 2.32345290352488
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+ itsplit 1
+Momenta zeroed out, time 199399.80
+ acceleration/energy drift too large 6.12099526389789
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+ itsplit 1
+ acceleration/energy drift too large 2.46847733163652
+ 20.4804755575360 split increased to 2 itime 997229
+ itsplit 1
+ acceleration/energy drift too large 9.37938205926189
+ 42.1387355445341 split increased to 2 itime 997726
+ itsplit 1
+Momenta zeroed out, time 199599.80
+ acceleration/energy drift too large 4.28756381152085
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+ itsplit 1
+Momenta zeroed out, time 199799.80
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 3.10395E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.29406E+02
+
+
+============================ End of MD calculation ===========================
+setup: 0.00000E+00
+ MD steps: 3.27875E+02
+
+
+============================ End of MD calculation ===========================
+rgy drift too large 7.24715654192502
+ 18.9505553112439 split increased to 2 itime 993900
+ itsplit 1
+Momenta zeroed out, time 198799.80
+ acceleration/energy drift too large 5.49702392217636
+ 19.4708131682054 split increased to 2 itime 994449
+ itsplit 1
+Momenta zeroed out, time 198999.80
+Momenta zeroed out, time 199199.80
+Momenta zeroed out, time 199399.80
+ acceleration/energy drift too large 6.87187582405623
+ 23.2661276042525 split increased to 2 itime 997107
+ itsplit 1
+ acceleration/energy drift too large 2.89504479472868
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+ itsplit 1
+ acceleration/energy drift too large 4.39651911197273
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+ itsplit 1
+Momenta zeroed out, time 199599.80
+ acceleration/energy drift too large 12.1184613560660
+ 59.1391593376783 split increased to 2 itime 998675
+ itsplit 1
+Momenta zeroed out, time 199799.80
+ acceleration/energy drift too large 3.55973245595484
+ 14.8278332309023 split increased to 2 itime 999256
+ itsplit 1
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 3.08582E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.27547E+02
+
+
+============================ End of MD calculation ===========================
+itsplit 1
+Momenta zeroed out, time 197799.80
+ acceleration/energy drift too large 8.29215166389780
+ 41.6211760498517 split increased to 2 itime 989371
+ itsplit 1
+ acceleration/energy drift too large 7.61542932016374
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+ itsplit 1
+Velocities reset to random values, time 197999.80
+Momenta zeroed out, time 197999.80
+ acceleration/energy drift too large 4.51722475010147
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+ itsplit 1
+ acceleration/energy drift too large 3.89772672175383
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+ itsplit 1
+Momenta zeroed out, time 198199.80
+ acceleration/energy drift too large 8.94003930379801
+ 36.8105579342492 split increased to 2 itime 991257
+ itsplit 1
+Momenta zeroed out, time 198399.80
+ acceleration/energy drift too large 3.55358684373914
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+ itsplit 1
+ acceleration/energy drift too large 4.65537538442201
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+ itsplit 1
+ acceleration/energy drift too large 5.75498846239782
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+ itsplit 1
+Momenta zeroed out, time 198599.80
+Momenta zeroed out, time 198799.80
+Momenta zeroed out, time 198999.80
+ acceleration/energy drift too large 2.52229983403417
+ 14.3907475233442 split increased to 2 itime 995301
+ itsplit 1
+ acceleration/energy drift too large 6.03994185171092
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+ itsplit 1
+ acceleration/energy drift too large 4.96725487361852
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+ itsplit 1
+Momenta zeroed out, time 199199.80
+Momenta zeroed out, time 199399.80
+ acceleration/energy drift too large 4.27856966149297
+ 16.5951022887465 split increased to 2 itime 997089
+ itsplit 1
+ acceleration/energy drift too large 8.86521123268110
+ 22.5339983302024 split increased to 2 itime 997412
+ itsplit 1
+ acceleration/energy drift too large 7.50430558016283
+ 27.0757639328441 split increased to 2 itime 997904
+ itsplit 1
+Momenta zeroed out, time 199599.80
+ acceleration/energy drift too large 8.97383319962953
+ 33.1506492654953 split increased to 2 itime 998107
+ itsplit 1
+Momenta zeroed out, time 199799.80
+ acceleration/energy drift too large 5.94079089781479
+ 11.6928788274260 split increased to 2 itime 999559
+ itsplit 1
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 7.81250E-03
+ Energy & gradient evaluation: 3.10926E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.29434E+02
+
+
+============================ End of MD calculation ===========================
+ 2 itime 998081
+ itsplit 1
+ acceleration/energy drift too large 6.41793446820617
+ 38.5172395382245 split increased to 2 itime 998521
+ itsplit 1
+Momenta zeroed out, time 199799.80
+ acceleration/energy drift too large 3.72668209135480
+ 11.7987407301254 split increased to 2 itime 999134
+ itsplit 1
+ acceleration/energy drift too large 4.54595564281487
+ 20.2154264509775 split increased to 2 itime 999188
+ itsplit 1
+ acceleration/energy drift too large 5.86794805877932
+ 26.7234654219408 split increased to 2 itime 999439
+ itsplit 1
+Velocities reset to random values, time 199999.80
+Momenta zeroed out, time 199999.80
+
+
+=================================== Timing ===================================
+
+ MD calculations setup: 3.90625E-03
+ Energy & gradient evaluation: 3.08367E+02
+ Stochastic MD setup: 0.00000E+00
+ Stochastic MD step setup: 0.00000E+00
+ MD steps: 3.27875E+02
+
+
+============================ End of MD calculation ===========================