[lammps-users] ERROR: Invalid atom style

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1

Hi,

I am new for lammps, I just compiled the lammps under RHEL 5.4, get the executable “lmp_redhat”. I am using ./lmp_redhat > ./bench/in.lj. There is no problem, but when I try ./lmp_redhat > ./bench/in.chain. or any other in file. it keeps showing :ERROR: Invalid atom style

Could you please give me some suggestions? Thanks,

Helen

2

Hi,

I am new for lammps, I just compiled the lammps under RHEL 5.4, get the
executable "lmp_redhat". I am using ./lmp_redhat > ./bench/in.lj. There is
no problem, but when I try ./lmp_redhat > ./bench/in.chain. or any other in
file. it keeps showing :ERROR: Invalid atom style

that means that the input uses an optional component of lammps
that you didn't configure in with "make yes-<packagename>".
please re-read the compilation and installation instructions.

cheers,
    axel.

3

Could you please give me some suggestions? Thanks,
Helen
Happy Helen

Sorry you are not happy, Helen. Probably you need
to build LAMMPS with a package installed that includes
the atom_style you are trying to use. E.g. if building
for machine foo:

make yes-molecule (this has atom_style bond or full)
make foo

Steve

4

Thanks a lot:)

I rebuilt with yes-molecule last night, it comes with lmp-rhel5 executable.

But I came across the MPI issue:

Fatal error in MPI_Init:
Other MPI error, error stack:
MPIR_Init_thread(411): Initialization failed
(unknown)(): Other MPI error

I am using openmpi, is there any special requirement for MPI?

Thanks:)

Helen

5

LAMMPS should work with any MPI. This
error looks like a problem with how MPI is
setup or initialized on your system.

Steve