intel/intel-optimized-lammps
Home of Intel-Optimized LAMMPS®
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Stack image for LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) based on Intel HPC Toolkit (ver. ubuntu22.04) and LAMMPS package (ver. 28Mar2023).
Configuration parameters
In order to modify the test execution, add the parameters from the list below, as environment variables. Otherwise, default values will be executed.
in.intel.airebo
. See list of valid models.auto
, the detection results in using the number of cores per socket of the machine.mpiexec
, the default is to not use it and any non-empty string will cause it to be used.auto
, the detection results in using the product of the cores per socket and the number of sockets.GATED
option.Valid models
Intel® AVX-512 support.
docker pull intel/intel-optimized-lammps