LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.What many don't realize is that our lammps builds are very full featured, including GPU support, we could enable other packages but they have never been requested. If you would like them just let us know.
This build has the following packages:
When we build lammps we provide two builds:Installed YES: package ASPHEREInstalled YES: package BODYInstalled YES: package CLASS2Installed YES: package COLLOIDInstalled YES: package DIPOLEInstalled YES: package FLDInstalled YES: package GPUInstalled YES: package GRANULARInstalled NO: package KIMInstalled YES: package KOKKOSInstalled YES: package KSPACEInstalled YES: package MANYBODYInstalled YES: package MCInstalled YES: package MEAMInstalled YES: package MISCInstalled YES: package MOLECULEInstalled YES: package MPIIOInstalled YES: package OPTInstalled YES: package PERIInstalled YES: package POEMSInstalled YES: package REAXInstalled YES: package REPLICAInstalled YES: package RIGIDInstalled YES: package SHOCKInstalled YES: package SRDInstalled NO: package VORONOIInstalled YES: package XTCInstalled YES: package USER-ATCInstalled YES: package USER-AWPMDInstalled YES: package USER-CG-CMMInstalled YES: package USER-COLVARSInstalled NO: package USER-CUDAInstalled YES: package USER-EFFInstalled YES: package USER-FEPInstalled YES: package USER-LBInstalled YES: package USER-MISCInstalled YES: package USER-MOLFILEInstalled NO: package USER-OMPInstalled YES: package USER-PHONONInstalled NO: package USER-QMMMInstalled YES: package USER-REAXCInstalled YES: package USER-SPH
- lmp_linux Doesn't have GPU package
- lmp_gpu Has GPU package
If you want to start using this new lammps build start with
module rm intel-comp openmpiIf you have any questions feel free to contact us.
module load intel-comp/14.0
module load openmpi/1.6.5/intel/14.0
module load lammps/22Jul14
