lammps/src/USER-INTELa75f94345903lammm-master-deprecated
lammps/src/USER-INTEL
a75f94345903lammm-master-deprecated
USER-INTEL
USER-INTEL
README
README
LAMMPS Intel(R) Package -------------------------------- W. Michael Brown (Intel) michael.w.brown at intel.com
This package is based on the USER-OMP package and provides LAMMPS styles that:
- include support for single and mixed precision in addition to double.
- include modifications to support vectorization for key routines
- include modifications to support offload to Intel(R) Xeon Phi(TM) coprocessors
When using the suffix command with "intel", intel styles will be used if they exist; if they do not, and the USER-OMP package is installed and an omp version exists, that style will be used. For example, in the case the USER-OMP package is installed,
kspace_style pppm/intel 1e-4
is equivalent to:
kspace_style pppm/omp 1e-4
because no pppm style has been implemented for the Intel package.
In order to use offload to Intel(R) Xeon Phi(TM) coprocessors, the flag -DLMP_INTEL_OFFLOAD should be set in the Makefile. Offload requires the use of Intel compilers.
The files in this package must be compiled with the Intel C++ compiler, i.e. icc/icpc.
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