Adding pair style dpd/intel and dihedral style fourier/intel
Adding raw performance numbers for Skylake xeon server. Fixes for using older Intel compilers and compiling without OpenMP. Fix adding in hooks for using USER-INTEL w/ minimization.
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@ -25,12 +25,12 @@ LAMMPS to run on the CPU cores and coprocessor cores simultaneously.
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[Currently Available USER-INTEL Styles:]
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Angle Styles: charmm, harmonic :ulb,l
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Bond Styles: fene, harmonic :l
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Bond Styles: fene, fourier, harmonic :l
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Dihedral Styles: charmm, harmonic, opls :l
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Fixes: nve, npt, nvt, nvt/sllod :l
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Improper Styles: cvff, harmonic :l
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Pair Styles: airebo, airebo/morse, buck/coul/cut, buck/coul/long,
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buck, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm,
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buck, dpd, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm,
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lj/charmm/coul/long, lj/cut, lj/cut/coul/long, lj/long/coul/long, rebo,
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sw, tersoff :l
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K-Space Styles: pppm, pppm/disp :l
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@ -82,6 +82,10 @@ this order :l
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The {newton} setting applies to all atoms, not just atoms shared
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between MPI tasks :l
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Vectorization can change the order for adding pairwise forces :l
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Unless specified otherwise at build time, the random number
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generator for dissipative particle dynamics uses the Mersenne
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Twister generator (that should be more robust than the standard
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generator) :l
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:ule
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The precision mode (described below) used with the USER-INTEL
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@ -7,6 +7,7 @@
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:line
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dihedral_style fourier command :h3
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dihedral_style fourier/intel command :h3
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dihedral_style fourier/omp command :h3
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[Syntax:]
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@ -8,6 +8,7 @@
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pair_style dpd command :h3
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pair_style dpd/gpu command :h3
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pair_style dpd/intel command :h3
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pair_style dpd/omp command :h3
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pair_style dpd/tstat command :h3
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pair_style dpd/tstat/gpu command :h3
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