auto x = as_rvec_array(statePropagatorData_->constPositionsView().paddedArrayRef().data());
auto v = as_rvec_array(statePropagatorData_->constVelocitiesView().paddedArrayRef().data());
- int nth = gmx_omp_nthreads_get(emntUpdate);
+ int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
int homenr = mdAtoms_->mdatoms()->homenr;
#pragma omp parallel for num_threads(nth) schedule(static) default(none) shared(nth, homenr, x, xp, v)
const real lambda =
(numPositionScalingValues == NumPositionScalingValues::Single) ? positionScaling_[0] : 1.0;
- int nth = gmx_omp_nthreads_get(emntUpdate);
+ int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
int homenr = mdAtoms_->mdatoms()->homenr;
#pragma omp parallel for num_threads(nth) schedule(static) default(none) shared(nth, homenr, x) \
const bool isFullScalingMatrixDiagonal =
diagonalizePRMatrix<parrinelloRahmanVelocityScaling>(matrixPR_, diagPR_);
- const int nth = gmx_omp_nthreads_get(emntUpdate);
+ const int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
const int homenr = mdAtoms_->mdatoms()->homenr;
// const variables could be shared, but gcc-8 & gcc-9 don't agree how to write that...
const bool isFullScalingMatrixDiagonal =
diagonalizePRMatrix<parrinelloRahmanVelocityScaling>(matrixPR_, diagPR_);
- const int nth = gmx_omp_nthreads_get(emntUpdate);
+ const int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
const int homenr = mdAtoms_->mdatoms()->homenr;
// const variables could be shared, but gcc-8 & gcc-9 don't agree how to write that...
const bool isFullScalingMatrixDiagonal =
diagonalizePRMatrix<parrinelloRahmanVelocityScaling>(matrixPR_, diagPR_);
- const int nth = gmx_omp_nthreads_get(emntUpdate);
+ const int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
const int homenr = mdAtoms_->mdatoms()->homenr;
// const variables could be shared, but gcc-8 & gcc-9 don't agree how to write that...
? startVelocityScaling_[0]
: 1.0;
- const int nth = gmx_omp_nthreads_get(emntUpdate);
+ const int nth = gmx_omp_nthreads_get(ModuleMultiThread::Update);
const int homenr = mdAtoms_->mdatoms()->homenr;
// const variables could be shared, but gcc-8 & gcc-9 don't agree how to write that...