Dear LAMMPS users
I was going to run a MD simulation with about 24000 atoms on 8 threads parallel calculations, but I get the following error after 450 cycles:
Process 3 exited without calling finalize.
It's OK when running on serial or on 2 threads, also I always run my MD simulations on parallel successfully. What's wrong with me?
Dear:
Sayyed Jalil Mahdizadeh
Sometimes, the processor does not solve many arrays. It requires higher bandwidth and higher speed of your processor.
Other times, the number of cycles is insufficient to perform a convergence. I believe that you can manually enter the number of cycles (this number of cylinders is an important parameter, because the calculation may be short). You can read the simulator manual in detail.
It may be due to memory problem. After some cycle your calculations may required more memory to store results and due to insufficient memory your calculations gets terminate. So watch your memory allocation using system monitor. U can run your calculation with share memory in which memory will share within your all cpu and hence reduce the memory requirement. I hope this help you.
Best,
Rajesh
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