Hori-Lab / TIS

TIS model code
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Negative values in run time output. #5

Closed naotohori closed 4 years ago

naotohori commented 4 years ago

The output of execution time shows some negative values, similar to #4.

 -----------------------------------
                      time         %
 -----------------------------------
 force                101761.7446  -1918.86
 _force(comm)           4269.7803    -80.51
 _force(local)          8411.3901   -158.61
 _force(go)               82.8708     -1.56
 _force(exv)            2206.9355    -41.61
 _force(ele)           80175.4946  -1511.82
 _force(dtrna_hb)         58.5400     -1.10
 _force(dtrna_st)       4654.1007    -87.76
 random              -137770.8563   2597.86
 _random(comm)             0.0000      0.00
 neighbor               9263.2021   -174.67
 _neighbor(comm)           0.0000      0.00
 _neighbor(exv)          265.0267     -5.00
 _neighbor(ele)         8246.0639   -155.49
 update                 6732.6017   -126.95
 copyxyz                   0.0000      0.00
 energy                    8.2659     -0.16
 _energy(comm)             0.2942     -0.01
 _energy(local)            0.6501     -0.01
 _energy(nlclgo)           0.0350     -0.00
 _energy(enm)              0.0000      0.00
 _energy(order)            0.0384     -0.00
 _energy(exv)              0.2492     -0.00
 _energy(unit)             0.0629     -0.00
 _energy(total)            0.0239     -0.00
 _energy(rep)              0.0000      0.00
_energy(ele)               5.0801     -0.10
 output                13531.4061   -255.15
 radiusg_rmsd              2.8972     -0.05
 others                  169.0804     -3.19
 -----------------------------------
 ope                   -9573.3197    180.52
 comm                   4270.0745    -80.52
 main_loop             -5303.2452    100.00
 -----------------------------------
 tinte                -19419.6363    366.18
 tinte_post            14045.4938   -264.85
 -----------------------------------
naotohori commented 4 years ago

Fixed in ad0dcd41f07eaf208e97c3111c2780852bd3a76a