Dear All,
Hello. This is Masato Koizumi, and I am using LAMMPS for my MD simulations.
I am currently running a LAMMPS input script that equilibrates polymer chains in a matrix.
I am using the same random seed every time I rerun my same input script. However, I am obtaining different values for the velocity and position coordinates in my dump files for every time I repeat the simulation run. Any hints in resolving this issue would be greatly appreciated. Thank you.
Sincerely,
Masato Koizumi
Dear All,
Hello. This is Masato Koizumi, and I am using LAMMPS for my MD
simulations.I am currently running a LAMMPS input script that equilibrates polymer
chains in a matrix.I am using the same random seed every time I rerun my same input script.
However, I am obtaining different values for the velocity and position
coordinates in my dump files for every time I repeat the simulation run.
Any hints in resolving this issue would be greatly appreciated. Thank you.
there is not enough information here to give a precise answer. there are
*many* ways to produce inconsistent trajectories.
axel.
Dear Dr. Axel Kohlmeyer,
Hello Dr. Kohlmeyer. Thank you for your e-mail.
I was curious if you could inform me a solution to obtain the exactly the same results in regards to trajectories if I rerun the same LAMMPS input script.
I was curious if using the exactly the same random seed will reproduce the same results such as not changing the random seed of the velocity and dpd pairwise potential for every rerun. Thank you.
Sincerely,
Masato Koizumi
Dear Dr. Axel Kohlmeyer,
Hello Dr. Kohlmeyer. Thank you for your e-mail.
I was curious if you could inform me a solution to obtain the exactly the
same results in regards to trajectories if I rerun the same LAMMPS input
script.I was curious if using the exactly the same random seed will reproduce the
same results such as not changing the random seed of the velocity and dpd
pairwise potential for every rerun. Thank you.
same question, same answer.
your request is like a person going to the doctor complaining about pain,
but not saying where exactly it hurts or how much, but expecting relief.
so the best i can do is to recommend: take 2 aspirin and only come back
when your can tell us more.
axel.
i should add the following.
in order for you to have more productive conversations via this mailing list, please have a look at this http://lammps.sandia.gov/guidelines.html
several of those apply here. i particularly recommend to search the mailing list archive. the topic of diverging trajectories has been discussed numerous times on
this mailing list already.