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Converting cilk vectorization directives to the openmp standard and changing some more depracated vector intrinsics. Data alignment directives for compiler vectorization are still mostly intel specific.

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This commit is contained in:
Mike Brown
2021-07-26 11:22:21 -07:00
parent 1345c25f41
commit fefcd0e2af
33 changed files with 1013 additions and 189 deletions
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36
src/INTEL/fix_nve_intel.cpp
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@ -68,8 +68,12 @@ void FixNVEIntel::initial_integrate(int /*vflag*/)
if (igroup == 0 && atom->ntypes == 1 && !atom->rmass) {
const double dtfm = dtf / atom->mass[1];
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++) {
v[i] += dtfm * f[i];
@ -78,8 +82,12 @@ void FixNVEIntel::initial_integrate(int /*vflag*/)
} else if (igroup == 0) {
if (neighbor->ago == 0) reset_dt();
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++) {
v[i] += _dtfm[i] * f[i];
@ -88,8 +96,12 @@ void FixNVEIntel::initial_integrate(int /*vflag*/)
} else {
if (neighbor->ago == 0) reset_dt();
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++) {
if (_dtfm[i] != 0.0) {
@ -112,16 +124,24 @@ void FixNVEIntel::final_integrate()
_nlocal3 = 3 * atom->nlocal;
const double dtfm = dtf / atom->mass[1];
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++)
v[i] += dtfm * f[i];
} else if (igroup == 0) {
if (neighbor->ago == 0) reset_dt();
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++) {
v[i] += _dtfm[i] * f[i];
@ -129,8 +149,12 @@ void FixNVEIntel::final_integrate()
} else {
if (neighbor->ago == 0) reset_dt();
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#if defined(USE_OMP_SIMD)
#pragma omp simd
#else
#pragma simd
#endif
#pragma vector aligned
#endif
for (int i = 0; i < _nlocal3; i++)
v[i] += _dtfm[i] * f[i];