sorry for that,
So the error is not the standard error that the LAMMPS usually give, in fact in the log file their is no error written. It is echoed out, hence why I belive it is an mpi error, part of it is pasted here, the rest is in the file.
[node035:01298] *** Process received signal ***
[node035:01298] Signal: Segmentation fault (11)
[node035:01298] Signal code: Address not mapped (1)
[node035:01298] Failing at address: (nil)
I cannot output any thermo output I can give as LAMMPS crashes before even running any simulation, it crashes while reading from the data file.
I think it has to do with structures having a molecular topology since;
I have run simulations having no molecular topology and I get no error.
I have run simulations having molecular topology and 0 values for bonds angles etc, and I get no errors.
I have run simulations with different potentials and I get no errors.
I get this error, in the attached testrun.o… file only when I have a molecular topology with avalue for bonds specified.
I cannot think of any further tests I can run, if you think of any please do tell me, I have limited programming capabilities though.
Sorry again for sending the previous email, hope this is much more helpful, I really want to get to the answer and reason for this error.
Please do tell me if this is clear enough