[gmx-users] Floating point exception(core dumped) still happen when running a serial job

[Zhang, Cheng]

Dear GROMACS expert,

(Relevant files can be found at https://copy.com/7DMkn6OxJBqEZtqh)


I still encountered error of "Floating point exception(core dumped)" when running "g_rms -s md_0_1.tpr -f md_0_1.xtc" on my Ubuntu. In the prompt, it stopped and showed the error when it came to 20 ns:


... ...

Reading frame    1700 time 17000.000

Reading frame    1800 time 18000.000

Reading frame    1900 time 19000.000

Reading frame    2000 time 20000.000


However, in my another repeat simulation, it could successfully run "g_rms -s md_0_1.tpr -f md_0_1.xtc" based on another md_0_1.xtc file. So I think there is something wrong with this .xtc file. Could someone please help me identify the problem?


Thank you very much.


Yours sincerely

Cheng