Insufficient memory on accelerator on GPU
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21
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165
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November 12, 2024
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Using Phonons.run after single-point calculation in Quantum Espresso - PropertyNotImplemented Error
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1
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5
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November 12, 2024
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The MSST randomly break down with deep potential
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2
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19
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November 10, 2024
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The Born-Mayer-Huggins problem
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2
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27
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November 8, 2024
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Unable to print values with fix print with values from compute property/atom
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1
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16
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November 8, 2024
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Error: Compute used in variable between runs is not current
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1
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20
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November 7, 2024
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Create_atoms region region does not exist (src/create_atoms.cpp:130)
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2
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21
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October 30, 2024
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Error building on raspberrypi5
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5
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13
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October 30, 2024
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Issue with Stability in Hybrid System (Hydrogen in TIP4P Water) Using NPT/NVT Ensembles
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1
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21
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October 30, 2024
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Issues with installing lammps with cuda
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4
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47
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October 30, 2024
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Msm/dielectric pair and kspace style crashes
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2
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24
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October 23, 2024
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[SOLVED] Cmake compilation error, fix identifier is undefined
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4
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23
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October 22, 2024
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ERROR: Number of element to type mappings does not match number of atom types. How to define the hybrid interatomic potential in the lammps?
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2
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39
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October 22, 2024
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Simple model to visualize H2
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2
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37
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October 21, 2024
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Errors ( "-nan" in thermo / killed by signal:9) was encountered when using PERI package in PD-LAMMPS
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4
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35
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October 19, 2024
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Error: A bonded interaction should exist between atoms in Moltemplate
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2
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29
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October 16, 2024
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Per-atom ERROR in newer version of compute reduce
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2
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226
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October 16, 2024
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Ba ground state in Materials Project
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1
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9
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October 15, 2024
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Assistance NEEDED for LAMMPS Log file error
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7
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46
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October 15, 2024
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Inconsistencies in the documentation of compute_dihedral_local
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1
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33
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October 13, 2024
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A problem in my Lammps code of nanoindentation with a diamond indenter
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4
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23
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October 13, 2024
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TIP4P water model
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5
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75
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October 11, 2024
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How to compute the per-atom force of group A exerted by group B?
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2
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19
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October 8, 2024
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Discrepancy in CFF parameters between EMC versions
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3
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39
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October 6, 2024
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Crystal structure of cubic Ba (mp-122) is not correct
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2
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21
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October 1, 2024
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Non-numeric pressure - simulation unstable error
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1
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67
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September 29, 2024
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Error in pair coeff
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2
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47
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September 29, 2024
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OpenMPI problem with ase test
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2
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11
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September 21, 2024
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ERROR: Out of range atoms - cannot compute PPPM (src/OPENMP/pppm_disp_tip4p_omp.cpp:400)
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1
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34
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September 20, 2024
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Dihedrals in the loplsaa.lt of moltemplate don't match the ones reported in the Siu paper
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4
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55
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September 20, 2024
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