mirror of
https://git.gfz-potsdam.de/naaice/poet.git
synced 2025-12-15 12:28:22 +01:00
fix: re-enable DHT correctly
feat: store excess H and O instead of total values
This commit is contained in:
Max Lübke
parent
ec47cbe8e7
commit
f9da7830f2
@ -70,7 +70,7 @@ void writeFieldsToR(RInside &R, const Field &trans, const Field &chem) {
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void set_chem_parameters(poet::ChemistryModule &chem, uint32_t wp_size,
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const std::string &database_path) {
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chem.SetErrorHandlerMode(1);
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chem.SetComponentH2O(false);
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chem.SetComponentH2O(true);
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chem.SetRebalanceFraction(0.5);
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chem.SetRebalanceByCell(true);
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chem.UseSolutionDensityVolume(false);
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@ -132,9 +132,10 @@ inline double RunMasterLoop(SimParams ¶ms, RInside &R,
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chem.initializeField(diffusion.getField());
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if (params.getNumParams().dht_enabled) {
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chem.SetDHTEnabled(true, params.getNumParams().dht_size_per_process);
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if (!params.getDHTSignifVector().empty()) {
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chem.SetDHTSignifVector(params.getDHTSignifVector());
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chem.SetDHTEnabled(true, params.getNumParams().dht_size_per_process,
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chem_params.dht_species);
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if (!chem_params.dht_signif.empty()) {
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chem.SetDHTSignifVector(chem_params.dht_signif);
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}
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if (!params.getDHTPropTypeVector().empty()) {
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chem.SetDHTPropTypeVector(params.getDHTPropTypeVector());
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@ -1,4 +1,4 @@
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## Time-stamp: "Last modified 2023-04-14 11:02:31 mluebke"
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## Time-stamp: "Last modified 2023-04-24 16:51:23 mluebke"
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database <- normalizePath("../share/poet/bench/barite/db_barite.dat")
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input_script <- normalizePath("../share/poet/bench/barite/barite.pqi")
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@ -44,9 +44,12 @@ grid <- list(
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## initial conditions
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init_diffu <- list(
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"H" = 110.0124,
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"O" = 55.5087,
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"Charge" = -1.217E-09,
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#"H" = 110.0124,
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"H" = 0.00000028904,
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#"O" = 55.5087,
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"O" = 0.000000165205,
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#"Charge" = -1.217E-09,
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"Charge" = -3.337E-08,
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"Ba" = 1.E-10,
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"Cl" = 1.E-10,
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"S(6)" = 6.205E-4,
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@ -55,9 +58,12 @@ init_diffu <- list(
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injection_diff <- list(
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list(
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"H" = 111.0124,
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"O" = 55.50622,
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"Charge" = -3.337E-08,
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#"H" = 111.0124,
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"H" = 0.0000002890408,
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#"O" = 55.50622,
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"O" = 0.00002014464,
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#"Charge" = -3.337E-08,
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"Charge" = -3.337000004885E-08,
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"Ba" = 0.1,
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"Cl" = 0.2,
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"S(6)" = 0,
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@ -109,13 +115,16 @@ diffusion <- list(
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## # Needed when using DHT
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signif_vector <- c(9, 9, 10, 5, 5, 5, 5, 5, 5)
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prop_type <- c("", "", "", "act", "act", "act", "act", "", "")
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prop <- names(init_cell)
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dht_species <- names(init_diffu)
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#dht_signif <- rep(15, length(dht_species))
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dht_signif <- c(10, 10, 3, 5, 5, 5, 5)
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chemistry <- list(
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database = database,
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input_script = input_script
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input_script = input_script,
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dht_species = dht_species,
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dht_signif = dht_signif
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)
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#################################################################
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@ -1,4 +1,4 @@
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## Time-stamp: "Last modified 2023-04-24 14:11:01 mluebke"
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## Time-stamp: "Last modified 2023-04-24 15:12:02 mluebke"
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database <- normalizePath("../share/poet/examples/phreeqc_kin.dat")
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input_script <- normalizePath("../share/poet/bench/dolo/dolo_inner.pqi")
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@ -44,8 +44,8 @@ grid <- list(
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## initial conditions
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init_diffu <- list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.000211313883539788,
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"O" = 0.00398302904424952,
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"Charge" = -5.0822e-19,
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"C(4)" = 1.2279E-4,
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"Ca" = 1.2279E-4,
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@ -67,8 +67,8 @@ alpha_diffu <- c(
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## list of boundary conditions/inner nodes
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vecinj_diffu <- list(
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list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.0001540445,
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"O" = 0.002148006,
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"Charge" = 1.90431e-16,
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"C(4)" = 0,
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"Ca" = 0,
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@ -76,8 +76,8 @@ vecinj_diffu <- list(
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"Mg" = 0.001
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),
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list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.0001610193,
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"O" = 0.002386934,
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"Charge" = 1.90431e-16,
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"C(4)" = 0,
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"Ca" = 0.0,
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@ -120,13 +120,16 @@ diffusion <- list(
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## # Needed when using DHT
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signif_vector <- c(10, 10, 2, 5, 5, 5, 5, 0, 5, 5)
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prop_type <- c("", "", "", "act", "act", "act", "act", "ignore", "", "")
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prop <- names(init_cell)
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dht_species <- c("H", "O", "Charge", "C(4)", "Ca", "Cl", "Mg", "Calcite",
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"Dolomite")
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#dht_signif <- rep(15, length(dht_species))
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dht_signif <- c(10, 10, 3, 5, 5, 5, 5, 5, 5)
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chemistry <- list(
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database = database,
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input_script = input_script
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input_script = input_script,
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dht_species = dht_species,
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dht_signif = dht_signif
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)
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#################################################################
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@ -135,7 +138,7 @@ chemistry <- list(
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#################################################################
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iterations <- 1000
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iterations <- 10
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dt <- 200
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setup <- list(
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@ -144,6 +147,5 @@ setup <- list(
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chemistry = chemistry,
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iterations = iterations,
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timesteps = rep(dt, iterations),
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store_result = TRUE,
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out_save = c(5, iterations)
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store_result = TRUE
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)
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@ -1,7 +1,7 @@
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## Time-stamp: "Last modified 2023-04-17 12:27:27 mluebke"
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## Time-stamp: "Last modified 2023-04-24 15:43:26 mluebke"
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database <- normalizePath("../share/poet/examples/phreeqc_kin.dat")
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input_script <- normalizePath("../share/poet/bench/dolo_inner.pqi")
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input_script <- normalizePath("../share/poet/bench/dolo/dolo_inner.pqi")
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#################################################################
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## Section 1 ##
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@ -44,10 +44,10 @@ grid <- list(
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## initial conditions
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init_diffu <- list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.000211313883539788,
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"O" = 0.00398302904424952,
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"Charge" = -5.0822e-19,
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"C" = 1.2279E-4,
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"C(4)" = 1.2279E-4,
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"Ca" = 1.2279E-4,
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"Cl" = 0,
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"Mg" = 0
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@ -58,7 +58,7 @@ alpha_diffu <- c(
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"H" = 1E-6,
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"O" = 1E-6,
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"Charge" = 1E-6,
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"C" = 1E-6,
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"C(4)" = 1E-6,
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"Ca" = 1E-6,
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"Cl" = 1E-6,
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"Mg" = 1E-6
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@ -67,19 +67,19 @@ alpha_diffu <- c(
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## list of boundary conditions/inner nodes
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vecinj_diffu <- list(
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list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.0001540445,
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"O" = 0.002148006,
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"Charge" = 1.90431e-16,
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"C" = 0,
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"C(4)" = 0,
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"Ca" = 0,
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"Cl" = 0.002,
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"Mg" = 0.001
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),
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list(
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"H" = 110.683,
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"O" = 55.3413,
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"H" = 0.0001610193,
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"O" = 0.002386934,
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"Charge" = 1.90431e-16,
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"C" = 0,
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"C(4)" = 0,
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"Ca" = 0.0,
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"Cl" = 0.004,
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"Mg" = 0.002
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@ -120,13 +120,16 @@ diffusion <- list(
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## # Needed when using DHT
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signif_vector <- c(10, 10, 2, 5, 5, 5, 5, 0, 5, 5)
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prop_type <- c("", "", "", "act", "act", "act", "act", "ignore", "", "")
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prop <- names(init_cell)
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dht_species <- c("H", "O", "Charge", "C(4)", "Ca", "Cl", "Mg", "Calcite",
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"Dolomite")
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#dht_signif <- rep(15, length(dht_species))
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dht_signif <- c(10, 10, 3, 5, 5, 5, 5, 5, 5)
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chemistry <- list(
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database = database,
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input_script = input_script
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input_script = input_script,
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dht_species = dht_species,
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dht_signif = dht_signif
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)
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#################################################################
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@ -145,5 +148,5 @@ setup <- list(
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iterations = iterations,
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timesteps = rep(dt, iterations),
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store_result = TRUE,
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out_save = c(5, iterations)
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out_save = seq(5, iterations, by=5)
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)
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@ -1 +1 @@
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Subproject commit 6a4c14c2857f0ad3558af3f1e1aa7555a805e8e2
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Subproject commit 6db8938592a487a701b3bca19858ab946b42f1a0
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@ -1,3 +1,5 @@
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// Time-stamp: "Last modified 2023-04-24 14:30:06 mluebke"
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#ifndef CHEMISTRYMODULE_H_
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#define CHEMISTRYMODULE_H_
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@ -158,8 +160,10 @@ public:
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*
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* \param enable Enables or disables the usage of the DHT.
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* \param size_mb Size in megabyte to allocate for the DHT if enabled.
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* \param key_species Name of species to be used for key creation.
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*/
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void SetDHTEnabled(bool enable, uint32_t size_mb);
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void SetDHTEnabled(bool enable, uint32_t size_mb,
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const std::vector<std::string> &key_species);
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/**
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* **Master only** Set DHT snapshots to specific mode.
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*
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@ -174,7 +178,7 @@ public:
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* \param signif_vec Vector defining significant digit for each species. Order
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* is defined by prop_type vector (ChemistryModule::GetPropNames).
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*/
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void SetDHTSignifVector(std::vector<uint32_t> signif_vec);
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void SetDHTSignifVector(std::vector<uint32_t> &signif_vec);
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/**
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* **Master only** Set the DHT rounding type of each species. See
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* DHT_PROP_TYPES enumemartion for explanation.
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@ -343,7 +347,7 @@ protected:
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void WorkerMetricsToMaster(int type);
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IRM_RESULT WorkerRunWorkPackage(std::vector<double> &vecWP,
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std::vector<int32_t> &vecMapping,
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std::vector<std::uint32_t> &vecMapping,
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double dSimTime, double dTimestep);
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std::vector<uint32_t> CalculateWPSizesVector(uint32_t n_cells,
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@ -355,6 +359,8 @@ protected:
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void unshuffleField(const std::vector<double> &in_buffer,
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uint32_t size_per_prop, uint32_t prop_count,
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uint32_t wp_count, std::vector<double> &out_field);
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std::vector<std::uint32_t>
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parseDHTSpeciesVec(const std::vector<std::string> &species_vec) const;
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int comm_size, comm_rank;
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MPI_Comm group_comm;
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@ -362,12 +368,12 @@ protected:
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bool is_sequential;
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bool is_master;
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uint32_t wp_size;
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bool dht_enabled = false;
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int dht_snaps_type = DHT_FILES_DISABLED;
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uint32_t wp_size{CHEM_DEFAULT_WP_SIZE};
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bool dht_enabled{false};
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int dht_snaps_type{DHT_FILES_DISABLED};
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std::string dht_file_out_dir;
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poet::DHT_Wrapper *dht = std::nullptr_t();
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poet::DHT_Wrapper *dht = nullptr;
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static constexpr uint32_t BUFFER_OFFSET = 5;
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@ -383,6 +389,8 @@ protected:
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double seq_t = 0.;
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double send_recv_t = 0.;
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std::array<double, 2> base_totals{0};
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#endif
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double chem_t = 0.;
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@ -2,7 +2,7 @@
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#define DHT_TYPES_H_
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namespace poet {
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enum DHT_PROP_TYPES { DHT_TYPE_DEFAULT, DHT_TYPE_ACT, DHT_TYPE_IGNORE };
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enum DHT_PROP_TYPES { DHT_TYPE_DEFAULT, DHT_TYPE_CHARGE, DHT_TYPE_IGNORE, DHT_TYPE_TOTAL };
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}
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#endif // DHT_TYPES_H_
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@ -1,3 +1,5 @@
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// Time-stamp: "Last modified 2023-04-24 16:23:42 mluebke"
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/*
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** Copyright (C) 2018-2021 Alexander Lindemann, Max Luebke (University of
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** Potsdam)
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@ -21,6 +23,8 @@
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#ifndef DHT_WRAPPER_H
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#define DHT_WRAPPER_H
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#include "poet/DHT_Types.hpp"
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#include <array>
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#include <cstdint>
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#include <string>
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#include <vector>
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@ -33,19 +37,21 @@ extern "C" {
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namespace poet {
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using DHT_Keyelement = struct keyelem {
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struct DHT_SCNotation {
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std::int8_t exp : 8;
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std::int64_t significant : 56;
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};
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union DHT_Keyelement {
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double fp_elemet;
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DHT_SCNotation sc_notation;
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};
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using DHT_ResultObject = struct DHTResobj {
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uint32_t length;
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std::vector<std::vector<DHT_Keyelement>> keys;
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std::vector<std::vector<double>> results;
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std::vector<bool> needPhreeqc;
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void ResultsToMapping(std::vector<int32_t> &curr_mapping);
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void ResultsToWP(std::vector<double> &curr_wp);
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};
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/**
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@ -79,11 +85,14 @@ public:
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*
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* @param dht_comm Communicator which addresses all participating DHT
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* processes
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* @param buckets_per_process Count of buckets to allocate for each process
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* @param key_count Count of key entries
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* @param buckets_per_process Count of buckets to allocate for each
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* process
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* @param key_indices Vector indexing elements of one grid cell used
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* for key creation.
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* @param data_count Count of data entries
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*/
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DHT_Wrapper(MPI_Comm dht_comm, uint32_t dht_size, uint32_t key_count,
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DHT_Wrapper(MPI_Comm dht_comm, uint32_t dht_size,
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const std::vector<std::uint32_t> &key_indices,
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uint32_t data_count);
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/**
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* @brief Destroy the dht wrapper object
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@ -112,8 +121,9 @@ public:
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* @param[in,out] work_package Pointer to current work package
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* @param dt Current timestep of simulation
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*/
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auto checkDHT(int length, double dt, const std::vector<double> &work_package)
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-> poet::DHT_ResultObject;
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auto checkDHT(int length, double dt, const std::vector<double> &work_package,
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std::vector<std::uint32_t> &curr_mapping)
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-> const poet::DHT_ResultObject &;
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/**
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* @brief Write simulated values into DHT
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@ -131,8 +141,9 @@ public:
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* outputs of the PHREEQC simulation
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* @param dt Current timestep of simulation
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*/
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void fillDHT(int length, const DHT_ResultObject &dht_check_data,
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const std::vector<double> &results);
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void fillDHT(int length, const std::vector<double> &work_package);
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void resultsToWP(std::vector<double> &work_package);
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/**
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* @brief Dump current DHT state into file.
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@ -189,6 +200,10 @@ public:
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void SetSignifVector(std::vector<uint32_t> signif_vec);
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void SetPropTypeVector(std::vector<uint32_t> prop_type_vec);
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void setBaseTotals(const std::array<double, 2> &bt) {
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this->base_totals = bt;
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}
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private:
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uint32_t key_count;
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uint32_t data_count;
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@ -202,11 +217,16 @@ private:
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uint32_t dht_evictions = 0;
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std::vector<uint32_t> dht_signif_vector;
|
||||
std::vector<uint32_t> dht_prop_type_vector;
|
||||
std::vector<std::uint32_t> dht_prop_type_vector;
|
||||
std::vector<std::uint32_t> input_key_elements;
|
||||
|
||||
static constexpr int DHT_KEY_SIGNIF_DEFAULT = 5;
|
||||
static constexpr int DHT_KEY_SIGNIF_TOTALS = 12;
|
||||
static constexpr int DHT_KEY_SIGNIF_TOTALS = 10;
|
||||
static constexpr int DHT_KEY_SIGNIF_CHARGE = 3;
|
||||
|
||||
DHT_ResultObject dht_results;
|
||||
|
||||
std::array<double, 2> base_totals{0};
|
||||
};
|
||||
} // namespace poet
|
||||
|
||||
|
||||
@ -101,6 +101,8 @@ using DiffusionParams = struct s_DiffusionParams {
|
||||
using ChemistryParams = struct s_ChemistryParams {
|
||||
std::string database_path;
|
||||
std::string input_script;
|
||||
std::vector<std::string> dht_species;
|
||||
std::vector<std::uint32_t> dht_signif;
|
||||
|
||||
s_ChemistryParams(RInside &R);
|
||||
};
|
||||
|
||||
@ -3,7 +3,6 @@
|
||||
#include "poet/DHT_Wrapper.hpp"
|
||||
|
||||
#include <algorithm>
|
||||
#include <bits/stdint-uintn.h>
|
||||
#include <cassert>
|
||||
#include <cstdint>
|
||||
#include <map>
|
||||
@ -146,7 +145,7 @@ void poet::ChemistryModule::initializeField(const Field &trans_field) {
|
||||
}
|
||||
|
||||
// now sort the new values
|
||||
std::sort(new_solution_names.begin() + 3, new_solution_names.end());
|
||||
std::sort(new_solution_names.begin() + 4, new_solution_names.end());
|
||||
|
||||
// and append other processes than solutions
|
||||
std::vector<std::string> new_prop_names = new_solution_names;
|
||||
@ -184,14 +183,28 @@ void poet::ChemistryModule::initializeField(const Field &trans_field) {
|
||||
}
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::SetDHTEnabled(bool enable, uint32_t size_mb) {
|
||||
void poet::ChemistryModule::SetDHTEnabled(
|
||||
bool enable, uint32_t size_mb,
|
||||
const std::vector<std::string> &key_species) {
|
||||
|
||||
constexpr uint32_t MB_FACTOR = 1E6;
|
||||
std::vector<std::uint32_t> key_inidices;
|
||||
|
||||
if (this->is_master) {
|
||||
int ftype = CHEM_DHT_ENABLE;
|
||||
PropagateFunctionType(ftype);
|
||||
ChemBCast(&enable, 1, MPI_CXX_BOOL);
|
||||
ChemBCast(&size_mb, 1, MPI_UINT32_T);
|
||||
|
||||
key_inidices = parseDHTSpeciesVec(key_species);
|
||||
int vec_size = key_inidices.size();
|
||||
ChemBCast(&vec_size, 1, MPI_INT);
|
||||
ChemBCast(key_inidices.data(), key_inidices.size(), MPI_UINT32_T);
|
||||
} else {
|
||||
int vec_size;
|
||||
ChemBCast(&vec_size, 1, MPI_INT);
|
||||
key_inidices.resize(vec_size);
|
||||
ChemBCast(key_inidices.data(), vec_size, MPI_UINT32_T);
|
||||
}
|
||||
|
||||
this->dht_enabled = enable;
|
||||
@ -214,10 +227,39 @@ void poet::ChemistryModule::SetDHTEnabled(bool enable, uint32_t size_mb) {
|
||||
const uint32_t dht_size = size_mb * MB_FACTOR;
|
||||
|
||||
this->dht =
|
||||
new DHT_Wrapper(dht_comm, dht_size, this->prop_count, this->prop_count);
|
||||
new DHT_Wrapper(dht_comm, dht_size, key_inidices, this->prop_count);
|
||||
// this->dht->setBaseTotals(this->base_totals);
|
||||
}
|
||||
}
|
||||
|
||||
inline std::vector<std::uint32_t> poet::ChemistryModule::parseDHTSpeciesVec(
|
||||
const std::vector<std::string> &species_vec) const {
|
||||
std::vector<uint32_t> species_indices;
|
||||
|
||||
if (species_vec.empty()) {
|
||||
species_indices.resize(this->prop_count);
|
||||
|
||||
int i = 0;
|
||||
std::generate(species_indices.begin(), species_indices.end(),
|
||||
[&] { return i++; });
|
||||
return species_indices;
|
||||
}
|
||||
|
||||
species_indices.reserve(species_vec.size());
|
||||
|
||||
for (const auto &name : species_vec) {
|
||||
auto it = std::find(this->prop_names.begin(), this->prop_names.end(), name);
|
||||
if (it == prop_names.end()) {
|
||||
throw std::runtime_error(
|
||||
"DHT species name was not found in prop name vector!");
|
||||
}
|
||||
const std::uint32_t index = it - prop_names.begin();
|
||||
species_indices.push_back(index);
|
||||
}
|
||||
|
||||
return species_indices;
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::SetDHTSnaps(int type, const std::string &out_dir) {
|
||||
if (this->is_master) {
|
||||
int ftype = CHEM_DHT_SNAPS;
|
||||
@ -230,24 +272,28 @@ void poet::ChemistryModule::SetDHTSnaps(int type, const std::string &out_dir) {
|
||||
ChemBCast(const_cast<char *>(out_dir.data()), str_size, MPI_CHAR);
|
||||
}
|
||||
|
||||
this->dht_snaps_type = type;
|
||||
this->dht_file_out_dir = out_dir;
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::SetDHTSignifVector(
|
||||
std::vector<uint32_t> signif_vec) {
|
||||
std::vector<uint32_t> &signif_vec) {
|
||||
if (this->is_master) {
|
||||
if (signif_vec.size() != this->prop_count) {
|
||||
throw std::runtime_error(
|
||||
"Significant vector sizes mismatches prop count.");
|
||||
}
|
||||
|
||||
int ftype = CHEM_DHT_SIGNIF_VEC;
|
||||
PropagateFunctionType(ftype);
|
||||
|
||||
int data_count = signif_vec.size();
|
||||
ChemBCast(&data_count, 1, MPI_INT);
|
||||
ChemBCast(signif_vec.data(), signif_vec.size(), MPI_UINT32_T);
|
||||
|
||||
return;
|
||||
}
|
||||
|
||||
int data_count;
|
||||
ChemBCast(&data_count, 1, MPI_INT);
|
||||
signif_vec.resize(data_count);
|
||||
ChemBCast(signif_vec.data(), data_count, MPI_UINT32_T);
|
||||
|
||||
this->dht->SetSignifVector(signif_vec);
|
||||
}
|
||||
|
||||
|
||||
@ -35,41 +35,24 @@
|
||||
using namespace poet;
|
||||
using namespace std;
|
||||
|
||||
inline DHT_Keyelement round_key_element(double value, std::uint32_t signif) {
|
||||
std::int8_t exp = (std::int8_t)std::floor(std::log10(std::fabs(value)));
|
||||
std::int64_t significant = value * std::pow(10, signif - exp - 1);
|
||||
inline DHT_SCNotation round_key_element(double value, std::uint32_t signif) {
|
||||
std::int8_t exp =
|
||||
static_cast<std::int8_t>(std::floor(std::log10(std::fabs(value))));
|
||||
std::int64_t significant =
|
||||
static_cast<std::int64_t>(value * std::pow(10, signif - exp - 1));
|
||||
|
||||
DHT_Keyelement elem;
|
||||
DHT_SCNotation elem;
|
||||
elem.exp = exp;
|
||||
elem.significant = significant;
|
||||
|
||||
return elem;
|
||||
}
|
||||
|
||||
void poet::DHT_ResultObject::ResultsToMapping(
|
||||
std::vector<int32_t> &curr_mapping) {
|
||||
uint32_t iMappingIndex = 0;
|
||||
for (uint32_t i = 0; i < this->length; i++) {
|
||||
if (curr_mapping[i] == -1) {
|
||||
continue;
|
||||
}
|
||||
curr_mapping[i] = (this->needPhreeqc[i] ? iMappingIndex++ : -1);
|
||||
}
|
||||
}
|
||||
|
||||
void poet::DHT_ResultObject::ResultsToWP(std::vector<double> &curr_wp) {
|
||||
for (uint32_t i = 0; i < this->length; i++) {
|
||||
if (!this->needPhreeqc[i]) {
|
||||
const uint32_t length = this->results[i].end() - this->results[i].begin();
|
||||
std::copy(this->results[i].begin(), this->results[i].end(),
|
||||
curr_wp.begin() + (length * i));
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
DHT_Wrapper::DHT_Wrapper(MPI_Comm dht_comm, uint32_t dht_size,
|
||||
uint32_t key_count, uint32_t data_count)
|
||||
: key_count(key_count), data_count(data_count) {
|
||||
const std::vector<std::uint32_t> &key_indices,
|
||||
uint32_t data_count)
|
||||
: key_count(key_indices.size()), data_count(data_count),
|
||||
input_key_elements(key_indices) {
|
||||
// initialize DHT object
|
||||
uint32_t key_size = (key_count + 1) * sizeof(DHT_Keyelement);
|
||||
uint32_t data_size = data_count * sizeof(double);
|
||||
@ -77,45 +60,39 @@ DHT_Wrapper::DHT_Wrapper(MPI_Comm dht_comm, uint32_t dht_size,
|
||||
dht_object = DHT_create(dht_comm, buckets_per_process, data_size, key_size,
|
||||
&poet::Murmur2_64A);
|
||||
|
||||
// extract needed values from sim_param struct
|
||||
// t_simparams tmp = params.getNumParams();
|
||||
|
||||
// this->dt_differ = tmp.dt_differ;
|
||||
// this->dht_log = tmp.dht_log;
|
||||
|
||||
// this->dht_signif_vector = params.getDHTSignifVector();
|
||||
// this->dht_prop_type_vector = params.getDHTPropTypeVector();
|
||||
|
||||
this->dht_signif_vector.resize(key_size, DHT_KEY_SIGNIF_DEFAULT);
|
||||
this->dht_signif_vector[0] = DHT_KEY_SIGNIF_TOTALS;
|
||||
this->dht_signif_vector[1] = DHT_KEY_SIGNIF_TOTALS;
|
||||
this->dht_signif_vector[2] = DHT_KEY_SIGNIF_CHARGE;
|
||||
|
||||
this->dht_prop_type_vector.resize(key_size, DHT_TYPE_DEFAULT);
|
||||
this->dht_prop_type_vector.resize(key_count, DHT_TYPE_DEFAULT);
|
||||
this->dht_prop_type_vector[0] = DHT_TYPE_TOTAL;
|
||||
this->dht_prop_type_vector[1] = DHT_TYPE_TOTAL;
|
||||
this->dht_prop_type_vector[2] = DHT_TYPE_CHARGE;
|
||||
}
|
||||
|
||||
DHT_Wrapper::~DHT_Wrapper() {
|
||||
// free DHT
|
||||
DHT_free(dht_object, NULL, NULL);
|
||||
|
||||
}
|
||||
auto DHT_Wrapper::checkDHT(int length, double dt,
|
||||
const std::vector<double> &work_package)
|
||||
-> poet::DHT_ResultObject {
|
||||
const std::vector<double> &work_package,
|
||||
std::vector<std::uint32_t> &curr_mapping)
|
||||
-> const poet::DHT_ResultObject & {
|
||||
|
||||
DHT_ResultObject check_data;
|
||||
dht_results.length = length;
|
||||
dht_results.keys.resize(length);
|
||||
dht_results.results.resize(length);
|
||||
dht_results.needPhreeqc.resize(length);
|
||||
|
||||
check_data.length = length;
|
||||
check_data.keys.resize(length);
|
||||
check_data.results.resize(length);
|
||||
check_data.needPhreeqc.resize(length);
|
||||
std::vector<std::uint32_t> new_mapping;
|
||||
|
||||
// loop over every grid cell contained in work package
|
||||
for (int i = 0; i < length; i++) {
|
||||
// point to current grid cell
|
||||
void *key = (void *)&(work_package[i * this->key_count]);
|
||||
auto &data = check_data.results[i];
|
||||
auto &key_vector = check_data.keys[i];
|
||||
void *key = (void *)&(work_package[i * this->data_count]);
|
||||
auto &data = dht_results.results[i];
|
||||
auto &key_vector = dht_results.keys[i];
|
||||
|
||||
data.resize(this->data_count);
|
||||
key_vector = fuzzForDHT(this->key_count, key, dt);
|
||||
@ -125,27 +102,29 @@ auto DHT_Wrapper::checkDHT(int length, double dt,
|
||||
|
||||
switch (res) {
|
||||
case DHT_SUCCESS:
|
||||
check_data.needPhreeqc[i] = false;
|
||||
dht_results.needPhreeqc[i] = false;
|
||||
this->dht_hits++;
|
||||
break;
|
||||
case DHT_READ_MISS:
|
||||
check_data.needPhreeqc[i] = true;
|
||||
dht_results.needPhreeqc[i] = true;
|
||||
new_mapping.push_back(curr_mapping[i]);
|
||||
this->dht_miss++;
|
||||
break;
|
||||
}
|
||||
}
|
||||
|
||||
return check_data;
|
||||
curr_mapping = std::move(new_mapping);
|
||||
|
||||
return dht_results;
|
||||
}
|
||||
|
||||
void DHT_Wrapper::fillDHT(int length, const DHT_ResultObject &dht_check_data,
|
||||
const std::vector<double> &results) {
|
||||
void DHT_Wrapper::fillDHT(int length, const std::vector<double> &work_package) {
|
||||
// loop over every grid cell contained in work package
|
||||
for (int i = 0; i < length; i++) {
|
||||
// If true grid cell was simulated, needs to be inserted into dht
|
||||
if (dht_check_data.needPhreeqc[i]) {
|
||||
const auto &key = dht_check_data.keys[i];
|
||||
void *data = (void *)&(results[i * this->data_count]);
|
||||
if (dht_results.needPhreeqc[i]) {
|
||||
const auto &key = dht_results.keys[i];
|
||||
void *data = (void *)&(work_package[i * this->data_count]);
|
||||
// fuzz data (round, logarithm etc.)
|
||||
|
||||
// insert simulated data with fuzzed key into DHT
|
||||
@ -159,6 +138,15 @@ void DHT_Wrapper::fillDHT(int length, const DHT_ResultObject &dht_check_data,
|
||||
}
|
||||
}
|
||||
|
||||
void DHT_Wrapper::resultsToWP(std::vector<double> &work_package) {
|
||||
for (int i = 0; i < dht_results.length; i++) {
|
||||
if (!dht_results.needPhreeqc[i]) {
|
||||
std::copy(dht_results.results[i].begin(), dht_results.results[i].end(),
|
||||
work_package.begin() + (data_count * i));
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
int DHT_Wrapper::tableToFile(const char *filename) {
|
||||
int res = DHT_to_file(dht_object, filename);
|
||||
return res;
|
||||
@ -194,25 +182,28 @@ std::vector<DHT_Keyelement> DHT_Wrapper::fuzzForDHT(int var_count, void *key,
|
||||
std::vector<DHT_Keyelement> vecFuzz(var_count + 1);
|
||||
std::memset(&vecFuzz[0], 0, sizeof(DHT_Keyelement) * var_count);
|
||||
|
||||
unsigned int i = 0;
|
||||
int totals_i = 0;
|
||||
// introduce fuzzing to allow more hits in DHT
|
||||
// loop over every variable of grid cell
|
||||
for (i = 0; i < (unsigned int)var_count; i++) {
|
||||
double &curr_key = ((double *)key)[i];
|
||||
for (std::uint32_t i = 0; i < input_key_elements.size(); i++) {
|
||||
double curr_key = ((double *)key)[input_key_elements[i]];
|
||||
if (curr_key != 0) {
|
||||
if (curr_key < zero_val &&
|
||||
this->dht_prop_type_vector[i] == DHT_TYPE_ACT) {
|
||||
this->dht_prop_type_vector[i] == DHT_TYPE_DEFAULT) {
|
||||
continue;
|
||||
}
|
||||
if (this->dht_prop_type_vector[i] == DHT_TYPE_IGNORE) {
|
||||
continue;
|
||||
}
|
||||
vecFuzz[i] = round_key_element(curr_key, dht_signif_vector[i]);
|
||||
if (this->dht_prop_type_vector[i] == DHT_TYPE_TOTAL) {
|
||||
curr_key -= base_totals[totals_i++];
|
||||
}
|
||||
vecFuzz[i].sc_notation = round_key_element(curr_key, dht_signif_vector[i]);
|
||||
}
|
||||
}
|
||||
// if timestep differs over iterations set current current time step at the
|
||||
// end of fuzzing buffer
|
||||
vecFuzz[var_count] = round_key_element(dt, 55);
|
||||
vecFuzz[var_count].fp_elemet = dt;
|
||||
|
||||
return vecFuzz;
|
||||
}
|
||||
|
||||
@ -1,4 +1,4 @@
|
||||
// Time-stamp: "Last modified 2023-03-31 15:00:11 mluebke"
|
||||
// Time-stamp: "Last modified 2023-04-24 16:56:18 mluebke"
|
||||
/*
|
||||
**-----------------------------------------------------------------------------
|
||||
** MurmurHash2 was written by Austin Appleby, and is placed in the public
|
||||
@ -26,9 +26,6 @@
|
||||
|
||||
#include "poet/HashFunctions.hpp"
|
||||
|
||||
#include <cstddef>
|
||||
#include <stdexcept>
|
||||
|
||||
#if defined(_MSC_VER)
|
||||
|
||||
#define BIG_CONSTANT(x) (x)
|
||||
|
||||
@ -1,6 +1,10 @@
|
||||
// Time-stamp: "Last modified 2023-04-24 16:55:34 mluebke"
|
||||
|
||||
#include "IrmResult.h"
|
||||
#include "poet/ChemistryModule.hpp"
|
||||
|
||||
#include <algorithm>
|
||||
#include <bits/stdint-uintn.h>
|
||||
#include <cstddef>
|
||||
#include <cstdint>
|
||||
#include <iomanip>
|
||||
@ -55,12 +59,13 @@ void poet::ChemistryModule::WorkerLoop() {
|
||||
uint32_t size_mb;
|
||||
ChemBCast(&size_mb, 1, MPI_UINT32_T);
|
||||
|
||||
SetDHTEnabled(enable, size_mb);
|
||||
std::vector<std::string> name_dummy;
|
||||
|
||||
SetDHTEnabled(enable, size_mb, name_dummy);
|
||||
break;
|
||||
}
|
||||
case CHEM_DHT_SIGNIF_VEC: {
|
||||
std::vector<uint32_t> input_vec(this->prop_count);
|
||||
ChemBCast(input_vec.data(), this->prop_count, MPI_UINT32_T);
|
||||
std::vector<uint32_t> input_vec;
|
||||
|
||||
SetDHTSignifVector(input_vec);
|
||||
break;
|
||||
@ -185,46 +190,35 @@ void poet::ChemistryModule::WorkerDoWork(MPI_Status &probe_status,
|
||||
/* 4th double value is currently a placeholder */
|
||||
// placeholder = mpi_buffer[count+4];
|
||||
|
||||
// std::vector<double> vecCurrWP(
|
||||
// mpi_buffer,
|
||||
// mpi_buffer + (local_work_package_size * this->prop_names.size()));
|
||||
vecCurrWP.resize(n_cells_times_props);
|
||||
std::vector<int32_t> vecMappingWP(this->wp_size);
|
||||
std::vector<std::uint32_t> vecMappingWP(local_work_package_size);
|
||||
|
||||
DHT_ResultObject DHT_Results;
|
||||
|
||||
for (uint32_t i = 0; i < local_work_package_size; i++) {
|
||||
vecMappingWP[i] = i;
|
||||
}
|
||||
|
||||
if (local_work_package_size != this->wp_size) {
|
||||
// std::vector<double> vecFiller(
|
||||
// (this->wp_size - local_work_package_size) * prop_count, 0);
|
||||
// vecCurrWP.insert(vecCurrWP.end(), vecFiller.begin(), vecFiller.end());
|
||||
|
||||
// set all remaining cells to inactive
|
||||
for (int i = local_work_package_size; i < this->wp_size; i++) {
|
||||
vecMappingWP[i] = -1;
|
||||
}
|
||||
{
|
||||
std::uint32_t i = 0;
|
||||
std::generate(vecMappingWP.begin(), vecMappingWP.end(),
|
||||
[&] { return i++; });
|
||||
}
|
||||
|
||||
if (dht_enabled) {
|
||||
/* check for values in DHT */
|
||||
dht_get_start = MPI_Wtime();
|
||||
DHT_Results = dht->checkDHT(local_work_package_size, dt, vecCurrWP);
|
||||
dht->checkDHT(local_work_package_size, dt, vecCurrWP, vecMappingWP);
|
||||
dht_get_end = MPI_Wtime();
|
||||
|
||||
DHT_Results.ResultsToMapping(vecMappingWP);
|
||||
// DHT_Results.ResultsToMapping(vecMappingWP);
|
||||
}
|
||||
|
||||
phreeqc_time_start = MPI_Wtime();
|
||||
|
||||
WorkerRunWorkPackage(vecCurrWP, vecMappingWP, current_sim_time, dt);
|
||||
if (WorkerRunWorkPackage(vecCurrWP, vecMappingWP, current_sim_time, dt) !=
|
||||
IRM_OK) {
|
||||
throw std::runtime_error("Phreeqc threw an error!");
|
||||
};
|
||||
|
||||
phreeqc_time_end = MPI_Wtime();
|
||||
|
||||
if (dht_enabled) {
|
||||
DHT_Results.ResultsToWP(vecCurrWP);
|
||||
dht->resultsToWP(vecCurrWP);
|
||||
}
|
||||
|
||||
/* send results to master */
|
||||
@ -235,7 +229,7 @@ void poet::ChemistryModule::WorkerDoWork(MPI_Status &probe_status,
|
||||
if (dht_enabled) {
|
||||
/* write results to DHT */
|
||||
dht_fill_start = MPI_Wtime();
|
||||
dht->fillDHT(local_work_package_size, DHT_Results, vecCurrWP);
|
||||
dht->fillDHT(local_work_package_size, vecCurrWP);
|
||||
dht_fill_end = MPI_Wtime();
|
||||
|
||||
timings.dht_get += dht_get_end - dht_get_start;
|
||||
@ -260,37 +254,14 @@ void poet::ChemistryModule::WorkerPostIter(MPI_Status &prope_status,
|
||||
}
|
||||
}
|
||||
void poet::ChemistryModule::WorkerPostSim(uint32_t iteration) {
|
||||
/* before death, submit profiling/timings to master*/
|
||||
|
||||
// double timings_serialized[4];
|
||||
// timings_serialized[0] = timings.phreeqc_t;
|
||||
// timings_serialized[1] = timings.dht_get;
|
||||
// timings_serialized[2] = timings.dht_fill;
|
||||
// timings_serialized[3] = timings.idle_t;
|
||||
|
||||
// // timings
|
||||
// MPI_Send(timings_serialized, 4, MPI_DOUBLE, 0, 0, this->group_comm);
|
||||
|
||||
// // MPI_Send(&phreeqc_count, 1, MPI_INT, 0, TAG_TIMING, MPI_COMM_WORLD);
|
||||
// // MPI_Send(&idle_t, 1, MPI_DOUBLE, 0, TAG_TIMING, MPI_COMM_WORLD);
|
||||
|
||||
// if (this->dht_enabled) {
|
||||
// // dht_perf
|
||||
// int dht_perf[3];
|
||||
// dht_perf[0] = dht->getHits();
|
||||
// dht_perf[1] = dht->getMisses();
|
||||
// dht_perf[2] = dht->getEvictions();
|
||||
// MPI_Send(dht_perf, 3, MPI_INT, 0, 0, this->group_comm);
|
||||
// }
|
||||
|
||||
if (this->dht_enabled && this->dht_snaps_type > DHT_FILES_SIMEND) {
|
||||
if (this->dht_enabled && this->dht_snaps_type == DHT_FILES_SIMEND) {
|
||||
WorkerWriteDHTDump(iteration);
|
||||
}
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::WorkerWriteDHTDump(uint32_t iteration) {
|
||||
std::stringstream out;
|
||||
out << this->dht_file_out_dir << "/iter_" << std::setfill('0') << std::setw(4)
|
||||
out << this->dht_file_out_dir << "/iter_" << std::setfill('0') << std::setw(3)
|
||||
<< iteration << ".dht";
|
||||
int res = dht->tableToFile(out.str().c_str());
|
||||
if (res != DHT_SUCCESS && this->comm_rank == 2)
|
||||
@ -321,13 +292,9 @@ void poet::ChemistryModule::WorkerReadDHTDump(
|
||||
}
|
||||
|
||||
IRM_RESULT
|
||||
poet::ChemistryModule::WorkerRunWorkPackage(std::vector<double> &vecWP,
|
||||
std::vector<int32_t> &vecMapping,
|
||||
double dSimTime, double dTimestep) {
|
||||
if (this->wp_size != vecMapping.size()) {
|
||||
return IRM_INVALIDARG;
|
||||
}
|
||||
|
||||
poet::ChemistryModule::WorkerRunWorkPackage(
|
||||
std::vector<double> &vecWP, std::vector<std::uint32_t> &vecMapping,
|
||||
double dSimTime, double dTimestep) {
|
||||
if ((this->wp_size * this->prop_count) != vecWP.size()) {
|
||||
return IRM_INVALIDARG;
|
||||
}
|
||||
@ -346,7 +313,7 @@ poet::ChemistryModule::WorkerRunWorkPackage(std::vector<double> &vecWP,
|
||||
}
|
||||
|
||||
IRM_RESULT result;
|
||||
this->PhreeqcRM::CreateMapping(vecMapping);
|
||||
this->PhreeqcRM::setPOETMapping(vecMapping);
|
||||
this->setDumpedField(vecWP);
|
||||
|
||||
this->PhreeqcRM::SetTime(dSimTime);
|
||||
|
||||
@ -21,6 +21,7 @@
|
||||
#include "poet/DHT_Types.hpp"
|
||||
#include <algorithm>
|
||||
#include <cassert>
|
||||
#include <cstdint>
|
||||
#include <poet/SimParams.hpp>
|
||||
|
||||
#include <RInside.h>
|
||||
@ -86,6 +87,16 @@ poet::ChemistryParams::s_ChemistryParams(RInside &R) {
|
||||
Rcpp::as<std::string>(R.parseEval("mysetup$chemistry$database"));
|
||||
this->input_script =
|
||||
Rcpp::as<std::string>(R.parseEval("mysetup$chemistry$input_script"));
|
||||
if (Rcpp::as<bool>(
|
||||
R.parseEval("'dht_species' %in% names(mysetup$chemistry)"))) {
|
||||
this->dht_species = Rcpp::as<std::vector<std::string>>(
|
||||
R.parseEval("mysetup$chemistry$dht_species"));
|
||||
}
|
||||
if (Rcpp::as<bool>(
|
||||
R.parseEval("'dht_signif' %in% names(mysetup$chemistry)"))) {
|
||||
this->dht_signif = Rcpp::as<std::vector<std::uint32_t>>(
|
||||
R.parseEval("mysetup$chemistry$dht_signif"));
|
||||
}
|
||||
}
|
||||
|
||||
SimParams::SimParams(int world_rank_, int world_size_) {
|
||||
@ -225,7 +236,7 @@ void SimParams::initVectorParams(RInside &R) {
|
||||
|
||||
for (const auto &type : prop_type_R) {
|
||||
if (type == "act") {
|
||||
this->dht_prop_type_vector.push_back(DHT_TYPE_ACT);
|
||||
this->dht_prop_type_vector.push_back(DHT_TYPE_CHARGE);
|
||||
continue;
|
||||
}
|
||||
|
||||
|
||||
@ -1,6 +1,6 @@
|
||||
## Simple library of functions to assess and visualize the results of the coupled simulations
|
||||
|
||||
## Time-stamp: "Last modified 2023-01-18 16:02:58 delucia"
|
||||
## Time-stamp: "Last modified 2023-04-24 16:09:55 mluebke"
|
||||
|
||||
require(RedModRphree)
|
||||
require(Rmufits) ## essentially for PlotCartCellData
|
||||
@ -59,10 +59,10 @@ ReadDHT <- function(file, new_scheme = TRUE) {
|
||||
|
||||
if (new_scheme) {
|
||||
nkeys <- dims[1] / 8
|
||||
keys <- res[, 1:nkeys]
|
||||
keys <- res[, 1:nkeys - 1]
|
||||
|
||||
conv <- apply(keys, 2, ConvertDHTKey)
|
||||
res[, 1:nkeys] <- conv
|
||||
res[, 1:nkeys - 1] <- conv
|
||||
}
|
||||
|
||||
return(res)
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user