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The bug is fixed in #2923. |
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Oh great . Sorry but I am new to this. So , will the bug fixed version be available as an offline package soon (as it is easier to install for me ) , or I should install from source only. Thanks again , |
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Hi ,
I am getting the following floating point error while running a lammps simulation from deepmd kit in my local pc. It is not even integrating one time step. I am facing the following error. Kindly , let me know where the issue lies.Any help would be greatly appreciated.
Thanks ,
Maddy
Data file for lammps
Input script for lammps
``
DeepMD version 2.2.5 installed using offline package.
I used the following command to run the lammps simulation
export OMP_NUM_THREADS=2
mpirun -np 12 lmp -in input.lammps
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