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rename control work package and subsitute interpolated work package

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Max Lübke 2025-09-02 11:03:33 +02:00
parent 58ad215a18
commit 7af47b167c
1 changed files with 17 additions and 8 deletions
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25
src/Chemistry/WorkerFunctions.cpp
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@ -220,20 +220,20 @@ namespace poet
/* if control iteration: create copy surrogate results (output and mappings) and then set them to zero,
give this to phreeqc */
poet::WorkPackage s_curr_wp_pqc = s_curr_wp;
poet::WorkPackage s_curr_wp_control = s_curr_wp;
if (control_iteration_active)
{
for (std::size_t wp_i = 0; wp_i < s_curr_wp_pqc.size; wp_i++)
for (std::size_t wp_i = 0; wp_i < s_curr_wp_control.size; wp_i++)
{
s_curr_wp_pqc.output[wp_i] = std::vector<double>(this->prop_count, 0.0);
s_curr_wp_pqc.mapping[wp_i] = 0;
s_curr_wp_control.output[wp_i] = std::vector<double>(this->prop_count, 0.0);
s_curr_wp_control.mapping[wp_i] = 0;
}
}
phreeqc_time_start = MPI_Wtime();
WorkerRunWorkPackage(control_iteration_active ? s_curr_wp_pqc : s_curr_wp, current_sim_time, dt);
WorkerRunWorkPackage(control_iteration_active ? s_curr_wp_control : s_curr_wp, current_sim_time, dt);
phreeqc_time_end = MPI_Wtime();
@ -243,9 +243,9 @@ namespace poet
mpi_buffer.resize(count + sur_wp_offset);
for (std::size_t wp_i = 0; wp_i < s_curr_wp_pqc.size; wp_i++)
for (std::size_t wp_i = 0; wp_i < s_curr_wp_control.size; wp_i++)
{
std::copy(s_curr_wp_pqc.output[wp_i].begin(), s_curr_wp_pqc.output[wp_i].end(),
std::copy(s_curr_wp_control.output[wp_i].begin(), s_curr_wp_control.output[wp_i].end(),
mpi_buffer.begin() + this->prop_count * wp_i);
}
@ -253,9 +253,18 @@ namespace poet
// copy surrogate output after the the pqc output, mpi_buffer[pqc][interp]
for (std::size_t wp_i = 0; wp_i < s_curr_wp.size; wp_i++)
{
if (!s_curr_wp.mapping[wp_i] == CHEM_PQC) // only copy if surrogate was used
{
std::copy(s_curr_wp.output[wp_i].begin(), s_curr_wp.output[wp_i].end(),
mpi_buffer.begin() + sur_wp_offset + this->prop_count * wp_i);
} else
{
// if pqc was used, copy pqc results again
std::copy(s_curr_wp_control.output[wp_i].begin(), s_curr_wp_control.output[wp_i].end(),
mpi_buffer.begin() + sur_wp_offset + this->prop_count * wp_i);
}
}
count += sur_wp_offset;
@ -279,7 +288,7 @@ namespace poet
{
/* write results to DHT */
dht_fill_start = MPI_Wtime();
dht->fillDHT(control_iteration_active ? s_curr_wp_pqc : s_curr_wp);
dht->fillDHT(control_iteration_active ? s_curr_wp_control : s_curr_wp);
dht_fill_end = MPI_Wtime();
if (interp_enabled)