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The correctness of my potential function training and the abnormal temperature and energy during the NEMD simulation
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13
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29
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March 8, 2026
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LAMMPS compilation failed when I want to use metatensor-lammps
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3
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24
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March 3, 2026
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Compile fails with "The compiler for CXX can not consume flag(s) ... in combination with the CMAKE_CXX_FLAGS=."
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1
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14
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March 2, 2026
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Pressure nan and E_pair inf
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2
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30
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February 26, 2026
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Build issue with "KOKKOS/fix_electron_stopping_kokkos.cpp" on HPE Cray EX
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3
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22
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February 26, 2026
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Help with fix bond/react
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8
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46
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February 25, 2026
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Installation of lammps
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6
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74
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February 25, 2026
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Extreme pressure drop
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2
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44
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February 5, 2026
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Lammps rerun failed with read_dump error
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6
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107
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February 3, 2026
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Registration error
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3
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24
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February 2, 2026
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'Complete your Materials Project registration' error
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4
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15
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February 2, 2026
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I cannot search material at Material Explorer (Periodic table)....from yesterday.
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1
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18
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January 30, 2026
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LAMMPS Error: Lost atoms in Al + 1H tensile simulation using MEAM potential
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1
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25
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January 30, 2026
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Error Lammps: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
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4
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41
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January 29, 2026
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Error while running EMC setup.esh script
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0
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35
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January 28, 2026
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All pair coeffs are not set.
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1
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55
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January 28, 2026
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CUDA illegal memory access
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3
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71
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January 21, 2026
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Error calculating average atomic
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11
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76
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January 8, 2026
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what causes this error when running GPUMD
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7
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79
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December 19, 2025
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The “bond atom missing” error arises when using LAMMPS’s bond/react module, which involves a three-step reaction.
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8
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97
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December 18, 2025
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PPPM out of range
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3
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60
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December 18, 2025
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Error after logging in: "Complete your Materials Project registration"
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5
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38
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December 18, 2025
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Mp-api doesn't seem to work even on clean install
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5
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56
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December 18, 2025
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ERROR: Non-numeric pressure - simulation unstable
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6
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73
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December 13, 2025
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ERROR on proc 29: Bond atoms 56578 59390 missing on proc 29 at step 35369
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7
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87
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December 11, 2025
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Bond atoms 16825 16826 missing
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1
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34
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December 10, 2025
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The energy explosion problem in LAMMPS
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2
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70
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December 10, 2025
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Issues Reproducing CsPbI₃ Static Structure Factor Tutorial and Missing Example Files in dynasor Documentation
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3
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50
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December 8, 2025
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Random segmentation faults
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3
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61
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December 8, 2025
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unstable and lost atoms in
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1
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30
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December 4, 2025
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