lammps/lammps

Issues

• HPC LAMMPS Master Class at Temple University June 3rd - 7th, 2024

  #4165 opened 3 days ago by akohlmey
  0

• [BUG] Incorrect output for triclinic/general when using dump style custom

  #4153 opened 20 days ago by nnn911
  0

• [BUG] Inconsistent syntax for dump_modify triclinic/general

  #4151 opened 5 days ago by nnn911
  0

• [Feature Request] Fix deposition rate specified in time units

  #4158 opened 17 days ago by tomasfbouvier
  0

• [Feature Request] Improve efficiency of fix_ipi

  #4155 opened 18 days ago by ceriottm
  0

• [BUG] Inconsistency using fix wall/gran with the granular pairstyle

  #4141 opened a month ago by kjhanley
  2

• [BUG] run_style verlet/split fails for certain types of examples

  #4149 opened 23 days ago by bcdandurand
  0

• I still face the same problem. Adding -pk gpu 4 neigh no seems not works for me ,the related file have uploaded

  #4147 opened 24 days ago by ruio248
  2

• Failed to use GPU acceleration for hybrid/overlay type potential

  #4131 opened a month ago by ruio248
  3

• [Feature Request] Implement MPI collective operations in KOKKOS implementation of KSPACE

  #4140 opened a month ago by hagertnl
  2

• [BUG] Strange communication lapse while scaling PPPM to extreme scale

  #4133 opened a month ago by hagertnl
  53

• documentation and/or error handling for eam/alloy

  #3982 opened a month ago by demkowicz
  12

• [BUG] Small error in in.ttm.mod example (Si.ttm_mod)

  #4106 opened a month ago by NicholasAsper
  0

• [BUG] "boost_serialization" option missing in PLUMED.cmake

  #4137 opened a month ago by zhucongx
  1

• ERROR: Pair coeff for hybrid has invalid style: library.meam

  #4136 opened a month ago by ZAhra-Rjz
  1

• [BUG] Fortran scatter_atoms() does not update atom positions when using atom_style atomic

  #4132 opened a month ago by jwrm2
  3

• [Feature Request] Make lammps_extract_fix consistent with lammps_extract_compute for global arrays

  #4118 opened 2 months ago by eltonfc
  4

• [BUG] _Unable to restart from restart files with rigid molecules.

  #4109 opened a month ago by JPBergsma
  0

• [BUG] pair_style ylz needs explicit symmetrization of the interaction cutoff

  #4119 opened a month ago by maitane-muba
  0

• An error in the "fix ttm command" description in the LAMMPS manual

  #4115 opened 2 months ago by phanomenaler
  1

• [BUG] Replace XDR code with BSD-relicensed copy

  #4114 opened 2 months ago by bgermann
  0

• Implementing Custom pair_style in KOKKOS

  #4117 opened 2 months ago by pw0908
  4

• [BUG] Force spike for some ReaxFF parametrizations for bond order ~10^-8

  #4064 opened 2 months ago by mkanski
  18

• [BUG] Memory leak of lammps_gather_concat functions in library.cpp

  #4100 opened 2 months ago by CHanzyLazer
  2

• [BUG] Fortran interface, c2f_string shape

  #4104 opened 2 months ago by mgoonde
  1

• [BUG] Compute RDF unphysical with neighbor multi

  #4093 opened 2 months ago by taenzel
  13

• [BUG] Major performance regression in Special.build() component of replicate at large scale (512 nodes+)

  #4075 opened 3 months ago by hagertnl
  14

• [BUG] Vector variable interaction with loop variable.

  #4081 opened 3 months ago by hothello
  2

• LAMMPS installtion still required the deprecated and removed Intel classic compilers (icc, icpc)

  #4083 opened 3 months ago by SerpentByte
  1

• [BUG] Release branch fails to build with EXTRA-PAIR

  #4076 opened 3 months ago by wcwitt
  3

• [BUG] Kokkos CMake config deprecated

  #4066 opened 3 months ago by clairekope
  7

• [BUG] Technically Timer::get_timeout_remain is buggy (can return timer inactive when it has just expired)

  #4065 opened 4 months ago by twhitehead
  5

• [BUG] LAMMPS CMake configuration requires HIP_PATH to be set

  #3986 opened 4 months ago by hagertnl
  11

• [Feature Request] Mixed Precision GPU Reaxff/Kokkos Package

  #4056 opened 4 months ago by jobs-git
  0

• LAMMPS-GPU Benchmark-Cuda driver error 4 in call at file ‘geryon/nvd_device.h

  #4045 opened 4 months ago by DaveiV
  4

• [BUG] MPI errors when running NEB with multiple cores per replica

  #4055 opened 4 months ago by jcappola
  5

• [Feature Request] Refactor access to and error messages for atom styles

  #4061 opened 4 months ago by akohlmey
  0

• Refactor bonus struct for ellipsoid atom style

  #3999 opened 6 months ago by jibril-b-coulibaly
  15

• [BUG] Cmake build: Unittest unrecognized command line option when enabling KOKKOS Cuda

  #4052 opened 4 months ago by jobs-git
  1

• [Feature Request] Single Precision cuFFT for GPU Package

  #4043 opened 4 months ago by jobs-git
  4

• [Feature Request] Make fix rigid/small compatible with more than 2 billion rigid bodies

  #4038 opened 4 months ago by akohlmey
  0

• Creating a new compute command for the virial-velocity correlation function

  #4032 opened 5 months ago by luizfcpe
  2

• [BUG] OpenMP: omp.h not found by CMake when using oneapi preset

  #4033 opened 4 months ago by donatas-surblys
  6

• [BUG] Documentation-Code Mismatch for Default Error Argument in fix halt

  #4016 opened 4 months ago by zrzrv5
  1

• [BUG] Segmentation fault in Kokkos MPI/GPU

  #4027 opened 5 months ago by alphataubio
  7

• [Contribution] add macos gpu support in Kokkos package using VkFFT library

  #4020 opened 5 months ago by alphataubio
  6

• support for global parameters in fix adapt/fep

  #4014 opened 5 months ago by cjknight
  2

• During the compilation process of KOKKOS, the reaxff_forces_omp.cpp file indicating that there was a error happend

  #3991 opened 5 months ago by zhoujingyu13687306871
  7

• Compute nearest neighbour distance

  #3994 opened 6 months ago by yury-lysogorskiy
  3

• [BUG] _fix mvv/dpd not working with pair_style mdpd_

  #3995 opened 6 months ago by luishcc
  3