[gmx-users] "Floating point exception" for g_rms

[Zhang, Cheng]

Dear GROMACS experts,

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


I have been told in the error file:


... ...

Reading frame    1700 time 17000.000

Reading frame    1800 time 18000.000

Reading frame    1900 time 19000.000

Reading frame    2000 time 20000.000   --------------------------------------------------------------------------

mpirun noticed that process rank 0 with PID 31111 on node node-080 exited on signal 8 (Floating point exception).

--------------------------------------------------------------------------


when I tried to submit a job with commandline below on our cluster:


echo "2 2" | gerun g_rms -s md_0_1.tpr -f md_0_1.xtc


Can I ask what is incorrect in my job? Thank you very much.


Yours sincerely

Cheng