ERROR: Requested neighbor pair method does not exist

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1

Dear LAMMPS users,

Does anyone know what “ERROR: Requested neighbor pair method does not exist (…/neighbor.cpp:784)” means and how can I fix this? This happens when I use hybrid pair style. The documentation does not list this error.

Thanks in advance.

2

Dear LAMMPS users,

Does anyone know what "ERROR: Requested neighbor pair method does not exist
(../neighbor.cpp:784)" means and how can I fix this? This happens when I use
hybrid pair style. The documentation does not list this error.

please provide the following additional pieces of information:

- the exact LAMMPS version you are using, and the platform you are running on
- the exact command line you are using to start the LAMMPS calculation
- a simplified input file, that reproduces this error. ideally,
through modifying one of the example input files already bundled with
LAMMPS. otherwise make sure you include a (reduced size) data file and
other supplementary files. best all in a compressed tar archive.

thanks,
      axel.

3

Dear Dr. Kohlmeyer,

Sorry for being late. We had a correspondence few days ago regarding fix momentum issues in one of the last versions, which, was solved. You informed me of some issues with neighbor list builds and the current error message may be one of them.

Your requested additional information:

  • latest x64 windows version dated 20/01/2017 when installing the package and 17/01/2017 when running LAMMPS
  • start cammand line: mpiexec -localonly 6 lmp_mpi -in in.txt (I am using a six core CPU in a PC)
  • input, data and log files are in the attachment

I am simulating the deposition of Ar atoms on CNTs. The mentioned error happens at the beginning of the simulation, as log file shows. I can say that the error happens when I use “pair_style hybrid”. Same input file runs without any issue with one of the previous LAMMPS versions.

Thanks.

Dear LAMMPS users,

Does anyone know what “ERROR: Requested neighbor pair method does not exist
(…/neighbor.cpp:784)” means and how can I fix this? This happens when I use
hybrid pair style. The documentation does not list this error.

please provide the following additional pieces of information:

  • the exact LAMMPS version you are using, and the platform you are running on
  • the exact command line you are using to start the LAMMPS calculation
  • a simplified input file, that reproduces this error. ideally,
    through modifying one of the example input files already bundled with
    LAMMPS. otherwise make sure you include a (reduced size) data file and
    other supplementary files. best all in a compressed tar archive.

thanks,
axel.

input data.rar (43.9 KB)

4

PS
I found out that there is an update for windows executable package dated 23/01/2017 (20/01/2017 prints to the screen when running lammps). I installed and examined that version, but the same error still exists.

Dear Dr. Kohlmeyer,

Sorry for being late. We had a correspondence few days ago regarding fix momentum issues in one of the last versions, which, was solved. You informed me of some issues with neighbor list builds and the current error message may be one of them.

Your requested additional information:

  • latest x64 windows version dated 20/01/2017 when installing the package and 17/01/2017 when running LAMMPS
  • start cammand line: mpiexec -localonly 6 lmp_mpi -in in.txt (I am using a six core CPU in a PC)
  • input, data and log files are in the attachment

I am simulating the deposition of Ar atoms on CNTs. The mentioned error happens at the beginning of the simulation, as log file shows. I can say that the error happens when I use “pair_style hybrid”. Same input file runs without any issue with one of the previous LAMMPS versions.

Thanks.

Dear LAMMPS users,

Does anyone know what “ERROR: Requested neighbor pair method does not exist
(…/neighbor.cpp:784)” means and how can I fix this? This happens when I use
hybrid pair style. The documentation does not list this error.

please provide the following additional pieces of information:

  • the exact LAMMPS version you are using, and the platform you are running on
  • the exact command line you are using to start the LAMMPS calculation
  • a simplified input file, that reproduces this error. ideally,
    through modifying one of the example input files already bundled with
    LAMMPS. otherwise make sure you include a (reduced size) data file and
    other supplementary files. best all in a compressed tar archive.

thanks,
axel.

5

Dear Dr. Kohlmeyer,

Sorry for being late. We had a correspondence few days ago regarding fix
momentum issues in one of the last versions, which, was solved. You informed
me of some issues with neighbor list builds and the current error message
may be one of them.

yes, it looks like it. there is a new windows build with version 20
Jan 2017 online, but this fixes a few *other* neighbor list issues.
this case needs additional changes.

thanks for providing a suitable input example. please note, that
.tar.gz or .zip files are generally very much preferred over .rar.
using your input deck, was able to track down the origin of the
problem and i think i have figured out how to address this. but i will
have to discuss with steve, whether this is the right approach.

Your requested additional information:
- latest x64 windows version dated 20/01/2017 when installing the package
and 17/01/2017 when running LAMMPS
- start cammand line: mpiexec -localonly 6 lmp_mpi -in in.txt (I am using a
six core CPU in a PC)
- input, data and log files are in the attachment

I am simulating the deposition of Ar atoms on CNTs. The mentioned error
happens at the beginning of the simulation, as log file shows. I can say
that the error happens when I use "pair_style hybrid". Same input file runs
without any issue with one of the previous LAMMPS versions.

as far as i can tell, there are three contributing factors:
- you are using a hybrid pair style, which triggers a special neigbor
list post-processing
- you are using airebo, which requires a rarely used neighbor list
variant, for which the existing neighbor list post-processing wasn't
flagged as compatible
- you are are enabling the USER-OMP package with multi-threaded
neighbor lists, for which also the post-processing wasn't correctly
flagged in multiple cases.

so strictly speaking, you have run into not one but two (closely related) bugs.

axel.

6

PS
I found out that there is an update for windows executable package dated
23/01/2017 (20/01/2017 prints to the screen when running lammps). I
installed and examined that version, but the same error still exists.

yes. i have forward ported my suggested changes from
https://github.com/lammps/lammps/pull/352 into the branch, that is
used for building windows binaries and triggered a new build. there
should be a new installer available shortly, that is dated 2017-01-24
(identifying itself as LAMMPS-ICMS Version 20 Jan 2017) and which
includes the new corrections.

axel.

7

Maybe this helps. I tried the input without /omp styles, but, the same error still exists.

PS
I found out that there is an update for windows executable package dated
23/01/2017 (20/01/2017 prints to the screen when running lammps). I
installed and examined that version, but the same error still exists.

yes. i have forward ported my suggested changes from
https://github.com/lammps/lammps/pull/352 into the branch, that is
used for building windows binaries and triggered a new build. there
should be a new installer available shortly, that is dated 2017-01-24
(identifying itself as LAMMPS-ICMS Version 20 Jan 2017) and which
includes the new corrections.

axel.

8

Maybe this helps. I tried the input without /omp styles, but, the same error
still exists.

is this with the executable, that was posted about 15 minutes ago?
i.e.: http://rpm.lammps.org/windows/64bit/lammps-64bit-20170124.exe
the corresponding linux version works with and without /omp styles.

axel.

9

Please give me a few minutes to test and come back.

Maybe this helps. I tried the input without /omp styles, but, the same error
still exists.

is this with the executable, that was posted about 15 minutes ago?
i.e.: http://rpm.lammps.org/windows/64bit/lammps-64bit-20170124.exe
the corresponding linux version works with and without /omp styles.

axel.

10

The error was solved. This new version works without issue (both with and without omp).

Please give me a few minutes to test and come back.

Maybe this helps. I tried the input without /omp styles, but, the same error
still exists.

is this with the executable, that was posted about 15 minutes ago?
i.e.: http://rpm.lammps.org/windows/64bit/lammps-64bit-20170124.exe
the corresponding linux version works with and without /omp styles.

axel.