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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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cvode
MAX_ITERS 40 hnew = hg predict_fail CVMEM cvode_error == TRUE || predict_fail after CVnls if (CVMEM cvode_error == TRUE) after CVNewtonIteration CVDoErrorTest exit(4); model Phreeqc.cpp pitzer.cpp sit.cpp new status ifdef'd with NPP 250 ms delay new global variable std::string string_status !!prep: switch_bases 10 to 100 orders of mag. Need to check utilities.cpp: new status git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7585 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
2ba41a620a
commit
7bb4d37189
@ -1266,7 +1266,11 @@ void Phreeqc::init(void)
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pr.hdf = FALSE;
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pr.alkalinity = FALSE;
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status_on = true;
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#ifdef NPP
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status_interval = 40;
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#else
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status_interval = 250;
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#endif
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status_timer = clock();
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count_warnings = 0;
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/* ----------------------------------------------------------------------
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@ -1490,6 +1490,7 @@ protected:
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bool status_on;
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clock_t status_interval;
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clock_t status_timer;
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std::string status_string;
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int count_warnings;
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/* ----------------------------------------------------------------------
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18
cvode.cpp
18
cvode.cpp
@ -101,7 +101,7 @@
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#define HLB_FACTOR RCONST(100.0)
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#define HUB_FACTOR RCONST(0.1)
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#define H_BIAS HALF
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#define MAX_ITERS 4
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#define MAX_ITERS 40
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/* CVSet */
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@ -1680,10 +1680,11 @@ CVHin(CVodeMem cv_mem, realtype tout)
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/* Set lower and upper bounds on h0, and take geometric mean
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Exit with this value if the bounds cross each other */
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hlb = HLB_FACTOR * tround;
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hub = CVUpperBoundH0(cv_mem, tdist);
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hg = RSqrt(hlb * hub);
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hnew = hg;
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if (hub < hlb)
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{
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if (sign == -1)
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@ -1848,11 +1849,13 @@ CVStep(CVodeMem cv_mem)
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/* Looping point for attempts to take a step */
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loop
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{
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bool predict_fail = false;
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CVMEM cvode_test = TRUE;
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f(N, tn, y, ftemp, f_data);
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CVMEM cvode_test = FALSE;
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if (CVMEM cvode_error == TRUE)
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{
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predict_fail = true;
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#ifdef DEBUG_CVODE
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CVMEM warning_msg("Before predict, y Fail, time %e\n", tn);
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#endif
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@ -1910,6 +1913,10 @@ CVStep(CVodeMem cv_mem)
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CVSet(cv_mem);
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nflag = CVnls(cv_mem, nflag);
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if (CVMEM cvode_error == TRUE || predict_fail)
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{
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nflag = -1;
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}
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#ifdef DEBUG_CVODE
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cvode_test = TRUE;
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f(N, tn, y, ftemp, f_data);
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@ -1934,6 +1941,7 @@ CVStep(CVodeMem cv_mem)
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CVMEM warning_msg("After CVnls, zn OK\n");
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}
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#endif
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//fprintf(stderr, "\nTime %e,\th %e\n", tn, h);
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kflag = CVHandleNFlag(cv_mem, &nflag, saved_t, &ncf);
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if (kflag == PREDICT_AGAIN)
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continue;
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@ -2753,7 +2761,10 @@ CVnlsNewton(CVodeMem cv_mem, int nflag)
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/* Do the Newton iteration */
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ier = CVNewtonIteration(cv_mem);
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if (CVMEM cvode_error == TRUE)
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{
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return (CONV_FAIL);
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}
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CVMEM cvode_test = TRUE;
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f(N, tn, y, ftemp, f_data);
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CVMEM cvode_test = FALSE;
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@ -3062,6 +3073,7 @@ CVDoErrorTest(CVodeMem cv_mem, int *nflagPtr, int *kflagPtr,
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CVMEM warning_msg("CVDoErrorTest");
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/*exit(8); */
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CVMEM error_msg("CVDoErrorTest", 1 /* STOP */ );
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exit(4);
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}
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nfe++;
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N_VScale(h, tempv, zn[1]);
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@ -76,7 +76,11 @@ model(void)
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debug_model_save = debug_model;
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pe_step_size_now = pe_step_size;
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step_size_now = step_size;
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#ifdef NPP
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if (!use.Get_kinetics_in()) status(0, NULL);
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#else
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status(0, NULL);
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#endif
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iterations = 0;
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count_basis_change = count_infeasible = 0;
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stop_program = FALSE;
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@ -1841,7 +1841,11 @@ model_pz(void)
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debug_model_save = debug_model;
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pe_step_size_now = pe_step_size;
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step_size_now = step_size;
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#ifdef NPP
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if (!use.Get_kinetics_in()) status(0, NULL);
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#else
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status(0, NULL);
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#endif
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iterations = 0;
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gamma_iterations = 0;
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count_basis_change = count_infeasible = 0;
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4
sit.cpp
4
sit.cpp
@ -959,7 +959,11 @@ model_sit(void)
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debug_model_save = debug_model;
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pe_step_size_now = pe_step_size;
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step_size_now = step_size;
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#ifdef NPP
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if (!use.Get_kinetics_in()) status(0, NULL);
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#else
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status(0, NULL);
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#endif
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iterations = 0;
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gamma_iterations = 0;
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count_basis_change = count_infeasible = 0;
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141
utilities.cpp
141
utilities.cpp
@ -1388,6 +1388,7 @@ under(LDBLE xval)
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/* return (exp(xval * LOG_10)) */;
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}
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#ifndef PHREEQCI_GUI
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#ifdef NPP
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/* ---------------------------------------------------------------------- */
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int Phreeqc::
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status(int count, const char *str, bool rk_string)
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@ -1526,6 +1527,146 @@ status(int count, const char *str, bool rk_string)
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}
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return (OK);
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}
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#else
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/* ---------------------------------------------------------------------- */
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int Phreeqc::
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status(int count, const char *str, bool rk_string)
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/* ---------------------------------------------------------------------- */
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{
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char sim_str[20];
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char state_str[45];
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char spin_str[2];
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clock_t t2;
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#ifdef PHREEQ98
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if (ProcessMessages)
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ApplicationProcessMessages();
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if (stop_calculations == TRUE)
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error_msg("Execution canceled by user.", STOP);
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#endif
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if (pr.status == FALSE || phast == TRUE)
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return (OK);
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if (state == INITIALIZE)
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{
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screen_string = sformatf("\n%-80s", "Initializing...");
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screen_msg(screen_string.c_str());
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status_on = true;
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return (OK);
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}
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switch (state)
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{
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case INITIALIZE:
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break;
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case TRANSPORT:
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if (str != NULL)
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{
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if (rk_string)
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{
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screen_string = screen_string.substr(0, 43);
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screen_string.append(str);
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status_string = screen_string;
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}
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else
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{
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screen_string = "\r";
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screen_string.append(str);
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status_string = screen_string;
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}
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status_on = true;
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}
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case PHAST:
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break;
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default:
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// if str not NULL, print it
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if (str != NULL && !rk_string)
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{
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screen_string = "\r";
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screen_string.append(str);
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status_string = screen_string;
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}
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else
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// print state
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{
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std::string stdstr;
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if (str != NULL && rk_string)
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{
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stdstr = str;
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}
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sprintf(sim_str, "\rSimulation %d.", simulation);
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sprintf(state_str, " ");
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sprintf(spin_str, " ");
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switch (state)
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{
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default:
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break;
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case INITIAL_SOLUTION:
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sprintf(state_str, "Initial solution %d.", use.Get_solution_ptr()->Get_n_user());
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break;
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case INITIAL_EXCHANGE:
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sprintf(state_str, "Initial exchange %d.", use.Get_exchange_ptr()->Get_n_user());
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break;
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case INITIAL_SURFACE:
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sprintf(state_str, "Initial surface %d.", use.Get_surface_ptr()->Get_n_user());
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break;
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case INVERSE:
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sprintf(state_str, "Inverse %d. Models = %d.", use.Get_inverse_ptr()->n_user, count);
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break;
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case REACTION:
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if (use.Get_kinetics_in() == TRUE)
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{
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sprintf(state_str, "Kinetic step %d.", reaction_step);
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}
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else
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{
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sprintf(state_str, "Reaction step %d.", reaction_step);
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}
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break;
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case ADVECTION:
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sprintf(state_str, "Advection, shift %d.", advection_step);
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break;
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}
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spinner++;
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if (spinner == 1)
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{
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spin_str[0] = '/';
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}
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else if (spinner == 2)
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{
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spin_str[0] = '-';
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}
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else
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{
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spin_str[0] = '\\';
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spinner = 0;
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}
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if (use.Get_kinetics_in() == TRUE)
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{
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screen_string = sformatf("%-15s%-27s%38s", sim_str, state_str, stdstr.c_str());
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status_string = screen_string;
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}
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else
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{
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screen_string = sformatf("%-15s%-27s%1s%37s", sim_str, state_str, spin_str, stdstr.c_str());
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status_string = screen_string;
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}
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}
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status_on = true;
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break;
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}
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t2 = clock();
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if ((int) (1e3 / CLOCKS_PER_SEC * (t2 - status_timer)) > status_interval)
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{
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status_timer = t2;
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screen_msg(status_string.c_str());
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status_string.clear();
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}
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return (OK);
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}
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#endif /* NPP */
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#endif /*PHREEQCI_GUI */
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/*
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** Dynamic hashing, after CACM April 1988 pp 446-457, by Per-Ake Larson.
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