Dear all users
My system consists of 8570 particles. I’ve used 9.5, and 10 values for inner and outer.
lj/charmm/coul/long 9.5 10
and
kspace_style ewald 1.0e-4
Run takes time for me. Approximately 100 pico-seconds per 24 hours with 8 cores.
How can I solve this problem
Dear all users
My system consists of 8570 particles. I’ve used 9.5, and 10 values for inner and outer.
lj/charmm/coul/long 9.5 10
and
kspace_style ewald 1.0e-4
timestep 1(fs)
Run takes time for me. Approximately 100 pico-seconds per 24 hours with 8 cores.
How can I solve this problem
Try using PPPM - it’s likely faster.
Steve
That is too slow based on expectations. As Steve said, PPPM would improve the speed.
Other than that, you have given us too little information to help you. If you could, attach the input and data files. Maybe then it might be clear if it's an issue related to the inputs or the compiled executable.
Ketan