Dear all. I use Lammps-14May 16 version on the Linux cluster. When I use the “fix moment” command, the simulation fails and gets stuck, the simulation always stays at the first step and cannot go down (when I comment the command, the simulation runs normally). Does anyone know what the problem is? Since the cluster does not have a newer version of lambs, is there any solution？
Detailed documents have been attached.
Hydration.in (21.7 KB)
log.lammps (16 KB)
nohup.out (2.0 KB)
You can easily compile a more recent version of LAMMPS yourself.
There are detailed instructions in the manual.
Thanks for your reply. While I do not have permission to install software in this cluster, Is there any other method, such as replacing the commands in this version with those in the new version？
That is nonsense. Nobody can do research without being able to compile custom software.
You may not have permission to install a software system-wide, but there is no need for it.
You can place the compiled software in your home directory. The only situation, where it is not possible to compile custom software is when there are no compilers and MPI library installed, but then it would be a lousy system administration to make you work with 6 year old software that is known to have bugs. Nobody in their right mind will be looking to identify any bugs in such an old open source software version that follows a continuous release policy like LAMMPS.
To that I can best answer with a joke:
Patient: Doctor, doctor. It hurts when I do this.
Doctor: Well, don’t do it, then.
In other words, just don’t use fix momentum. It is a non-essential command and it should not be needed for most simulations. It is often used as a crutch to make a simulation starting from a bad input or badly chosen conditions look better.
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