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more general mapping of tersoff/intel to tersoff when non-Intel compiler is used

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This commit is contained in:
Axel Kohlmeyer
2021-07-11 00:56:14 -04:00
parent 467410d934
commit 0e440f9a42
2 changed files with 15 additions and 27 deletions
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35
src/INTEL/pair_tersoff_intel.cpp
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@ -16,11 +16,8 @@
Contributing author: Markus Höhnerbach (RWTH) Contributing author: Markus Höhnerbach (RWTH)
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstring>
#include "pair_tersoff_intel.h" #include "pair_tersoff_intel.h"
#include "atom.h" #include "atom.h"
#include "neighbor.h" #include "neighbor.h"
#include "neigh_list.h" #include "neigh_list.h"
@ -30,30 +27,14 @@
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"
// Currently Intel compiler is required for this pair style. #include <cmath>
// For convenience, base class routines are called if not using Intel compiler. #include <cstring>
#ifndef __INTEL_COMPILER
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
PairTersoffIntel::PairTersoffIntel(LAMMPS *lmp) : PairTersoff(lmp) // Currently the Intel compiler is required for this pair style.
{ // For convenience, the style is mapped to the base class for other compilers
} #ifdef __INTEL_COMPILER
void PairTersoffIntel::compute(int eflag, int vflag)
{
PairTersoff::compute(eflag, vflag);
}
void PairTersoffIntel::init_style()
{
if (comm->me == 0) {
error->warning(FLERR, "Tersoff/intel currently requires intel compiler. "
"Using MANYBODY version.");
}
PairTersoff::init_style();
}
#else
#ifdef _LMP_INTEL_OFFLOAD #ifdef _LMP_INTEL_OFFLOAD
#pragma offload_attribute(push,target(mic)) #pragma offload_attribute(push,target(mic))
@ -1439,4 +1420,4 @@ void IntelKernelTersoff<flt_t,acc_t,mic, pack_i>::attractive_vector(
#pragma offload_attribute(pop) #pragma offload_attribute(pop)
#endif #endif
#endif #endif // __INTEL_COMPILER

7
src/INTEL/pair_tersoff_intel.h
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@ -14,7 +14,14 @@
#ifdef PAIR_CLASS #ifdef PAIR_CLASS
// clang-format off // clang-format off
// Currently the Intel compilers are required for this pair style.
// For convenience, we are mapping the style to the base class.
#ifdef __INTEL_COMPILER
PairStyle(tersoff/intel,PairTersoffIntel); PairStyle(tersoff/intel,PairTersoffIntel);
#else
PairStyle(tersoff/intel,PairTersoff);
#endif
// clang-format on // clang-format on
#else #else