Hi dear Lammps users and developers
I want to run the the CH4hyd FEP example on github (fep01 case) but get Segmentation Fault.
Here is the the data and the log file. I ran the simulation with one processor and parallel in both I got error.
I think I install the required packages, here is the list:
ASPHERE BODY CLASS2 COLLOID CORESHELL DIPOLE GPU GRANULAR KSPACE MANYBODY MC
MESSAGE MISC MOLECULE OPT PERI POEMS QEQ REPLICA RIGID SHOCK SNAP SPIN SRD
USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD
USER-DRUDE USER-EFF USER-FEP USER-INTEL USER-MANIFOLD USER-MEAMC USER-MESO
USER-MGPT USER-MISC USER-MOFFF USER-OMP USER-PHONON USER-PTM USER-QTB
USER-REAXC USER-SDPD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-YAFF VORONOI
OS: Linux 4.19.0-6-amd64 on x86_64
Large-scale Atomic/Molecular Massively Parallel Simulator - 7 Aug 2019
Thank you in advance
Fariba
[data.lmp|attachment](upload://dOiVJOMbREDQGlMNiBsFCU5Rm21.lmp) (139 KB)
[in_fep01.lmp|attachment](upload://oFySJkqB1RmJvb85rfBYlxIgTYu.lmp) (2.16 KB)
[log.lammps|attachment](upload://yY3nleTr8qHb6G9IILruSLgpO92.lammps) (17.4 KB)
This input runs fine for me with the current version of LAMMPS, 30 June 2020.
There is no indication in the provided files where and how the segmentation fault is happening, so there is nothing that can be done.
Could it be that you are running on a cluster and your just simply was terminated because of using too much walltime?
Please keep in mind, that segmentation faults can also happen with overheating and faulting RAM or CPUs or corrupted (system) filesystems, so you should check the machine that you are running on as well as look for additional output files with useful information.
Axel.
Thank you Professor Kohlmeyer, so it is not related to the input script because it runs on your machine. Would you mind helping me about additional output files that can help me in this case to find the error?
Thank you
Fariba
Neither do I have access to your computer, nor can I look over your shoulder or know how and where your are running your calculations, so I cannot help you with this.
You need help from someone local. And while you are at it, you should get more training on how to operate whatever resources you are running your simulations on, since your current lack of knowledge in this respect is quite embarrassing.
Axel