[gmx-users] “gmx check" shows "Floating point exception(core dumped)" for .xtc file

[Zhang, Cheng]

Hi Justin,

Thank you for telling me the "gmx check" method. As I checked, it also shows "Floating point exception(core dumped)" after 20 ns. So I think it is corrupt as you have said. I will run it again.


Thank you very much.


Yours sincerely

Cheng






GROMACS:      gmx check, VERSION 5.0.4

Executable:   /usr/local/gromacs/bin/gmx

Library dir:  /usr/local/gromacs/share/gromacs/top

Command line:

  gmx check -f md_0_1.xtc



Reading frame       0 time    0.000

# Atoms  127896

Precision 0.001 (nm)


Reading frame       1 time   10.000

Reading frame       2 time   20.000

Reading frame       3 time   30.000

Reading frame       4 time   40.000

Reading frame       5 time   50.000

Reading frame       6 time   60.000

Reading frame       7 time   70.000

Reading frame       8 time   80.000

Reading frame       9 time   90.000

Reading frame      10 time  100.000

Reading frame      11 time  110.000

Reading frame      12 time  120.000

Reading frame      13 time  130.000

Reading frame      14 time  140.000

Reading frame      15 time  150.000

Reading frame      16 time  160.000

Reading frame      17 time  170.000

Reading frame      18 time  180.000

Reading frame      19 time  190.000

Reading frame      20 time  200.000

Reading frame      30 time  300.000

Reading frame      40 time  400.000

Reading frame      50 time  500.000

Reading frame      60 time  600.000

Reading frame      70 time  700.000

Reading frame      80 time  800.000

Reading frame      90 time  900.000

Reading frame     100 time 1000.000

Reading frame     110 time 1100.000

Reading frame     120 time 1200.000

Reading frame     130 time 1300.000

Reading frame     140 time 1400.000

Reading frame     150 time 1500.000

Reading frame     160 time 1600.000

Reading frame     170 time 1700.000

Reading frame     180 time 1800.000

Reading frame     190 time 1900.000

Reading frame     200 time 2000.000

Reading frame     300 time 3000.000

Reading frame     400 time 4000.000

Reading frame     500 time 5000.000

Reading frame     600 time 6000.000

Reading frame     700 time 7000.000

Reading frame     800 time 8000.000

Reading frame     900 time 9000.000

Reading frame    1000 time 10000.000

Reading frame    1100 time 11000.000

Reading frame    1200 time 12000.000

Reading frame    1300 time 13000.000

Reading frame    1400 time 14000.000

Reading frame    1500 time 15000.000

Reading frame    1600 time 16000.000

Reading frame    1700 time 17000.000

Reading frame    1800 time 18000.000

Reading frame    1900 time 19000.000

Reading frame    2000 time 20000.000