int main(int argc, char **argv){
uint32_t datarows, datacolumns;
uint32_t i, j, k;
int world_size, world_rank, rc;
//Check input arguments
if (argc != 2) {
fprintf(stderr,"USAGE: %s <input_filename>\n", argv[0]);
exit(1);
}
// Start MPI
rc = MPI_Init(&argc,&argv);
if (rc != MPI_SUCCESS) {
printf ("Error starting MPI program. Terminating.\n"); MPI_Abort(MPI_COMM_WORLD, rc);
}
// Get world size (number of MPI processes) and world rank (# of this process)
MPI_Comm_size(MPI_COMM_WORLD,&world_size);
MPI_Comm_rank(MPI_COMM_WORLD,&world_rank);
if (world_rank==0){
// Declare variables used only on the root node
int buf[world_size-1], nextReady;
MPI_Request reqs[world_size-1];
MPI_Status stats[world_size-1];
// Print format of output
printf("Kv\tMbulk\tTliq\tTsatb\tTf\tTsat\tZrsat\tZrf\tFf\tSiO2\tZrbulk\tMZr\tTcryst\n");
// Import 2-d source data array as a flat double array. Format:
// SiO2, TiO2, Al2O3, Fe2O3, Cr2O3, FeO, MnO, MgO, NiO, CoO, CaO, Na2O, K2O, P2O5, CO2, H2O, Zr, Kv;
double** const data = csvparse(argv[1],',', &datarows, &datacolumns);
// Listen for task requests from the worker nodes
for (i=1; i<world_size; i++){
// *buf, count, datatype, dest, tag, comm, *request
MPI_Irecv(&buf[i-1], 1, MPI_INT, i, 0, MPI_COMM_WORLD, &reqs[i-1]);
}
// Once any worker asks for a new task, send next task to that worker and keep listening
for (i=0; i<datarows; i++){
MPI_Waitany(world_size-1, reqs, &nextReady, stats);
// *buf, count, datatype, dest, tag, comm
MPI_Send(data[i], 18, MPI_DOUBLE, nextReady+1, 1, MPI_COMM_WORLD);
// *buf, count, datatype, source, tag, comm, *request
MPI_Irecv(&buf[nextReady], 1, MPI_INT, nextReady+1, 0, MPI_COMM_WORLD, &reqs[nextReady]);
}
// Wait for all workers to complete, then send the stop signal
MPI_Waitall(world_size-1, reqs, stats);
double stop[18] = {-1};
for (i=1; i<world_size; i++){
MPI_Send(&stop, 18, MPI_DOUBLE, i, 1, MPI_COMM_WORLD);
}
}
else {
// Declare variables used only on the worker nodes
MPI_Request sReq;
MPI_Status sStat;
double ic[18], Kd, iKd;
FILE *fp;
// char prefix[200], cmd_string[500];
char* prefix = malloc(500*sizeof(char));
char* cmd_string = malloc(1000*sizeof(char));
// Simulation parameters
/**********************************************************/
// Version to run MELTS in (MELTS or pMELTS)
const char version[]="pMELTS";
// Melts mode (isobaric, ptpath, etc)
const char mode[]="isobaric";
// fO2 buffer to use (None, FMQ, etc.)
const char fo2Buffer[]="FMQ";
// fO2 offset from buffer
double fo2Delta=1;
// Initial temperature (Celcius)
double Ti=1700;
//Initial Pressure (bar)
double Pi=600;
//Temperature step size in each simulation
const int deltaT=-10;
// Pressure step size;
const int deltaP=0;
// Stop simulations at a given percent melt
const double minPercentMelt=10;
// Variables that control size and location of the simulation
/***********************************************************/
// Location of scratch directory (ideally local scratch for each node)
// This location may vary on your system - contact your sysadmin if unsure
// const char scratchdir[]="/scratch/gpfs/cbkeller/";
const char scratchdir[]="/scratch/";
// Variables that determine how much memory to allocate to imported results
const int maxMinerals=100, maxSteps=1700/abs(deltaT), maxColumns=50;
/***********************************************************/
// Malloc space for the imported melts array
double **rawMatrix=mallocDoubleArray(maxMinerals*maxSteps,maxColumns);
double ***melts=malloc(maxMinerals*sizeof(double**));
char **names=malloc(maxMinerals*sizeof(char*));
char ***elements=malloc(maxMinerals*sizeof(char**));
int *meltsrows=malloc(maxMinerals*sizeof(int)), *meltscolumns=malloc(maxMinerals*sizeof(int));
for (i=0; i<maxMinerals; i++){
names[i]=malloc(30*sizeof(char));
elements[i]=malloc(maxColumns*sizeof(char*));
for (k=0; k<maxColumns; k++){
elements[i][k]=malloc(30*sizeof(char));
}
}
int minerals;
// Variables for finding saturation temperature
int row, col, P, T, mass, SiO2, TiO2, Al2O3, Fe2O3, Cr2O3, FeO, MnO, MgO, NiO, CoO, CaO, Na2O, K2O, P2O5, CO2, H2O;
int fspCaO, fspNa2O, fspK2O, oxideTiO2, oxideFe2O3, oxideFeO, oxideMnO;
double M, Tf, Tsat, Tsatbulk, Ts, Tsmax, Zrf, Zrsat, MZr, MZrnow, Tcryst;
double AnKd, AbKd, OrKd, IlmKd, MtKd;
while (1) {
// Ask root node for new task
// *buf, count, datatype, dest, tag, comm, *request
MPI_Isend(&world_rank, 1, MPI_INT, 0, 0, MPI_COMM_WORLD, &sReq);
// *buf, count, datatype, source, tag, comm, *status
MPI_Recv(&ic, 18, MPI_DOUBLE, 0, 1, MPI_COMM_WORLD, &sStat);
// Exit loop if stop signal recieved
if (ic[0]<0) break;
//Configure working directory
sprintf(prefix,"%sout%i_%.0f/", scratchdir, world_rank, ic[17]);
sprintf(cmd_string,"mkdir -p %s", prefix);
system(cmd_string);
// //Set water
// ic[15]=3.0;
// //Set CO2
// ic[14]=0.1;
//Run MELTS
runmelts(prefix,ic,version,"isobaric",fo2Buffer,fo2Delta,"1\nsc.melts\n10\n1\n3\n1\nliquid\n1\n0.99\n1\n10\n0\n4\n0\n","","!",Ti,Pi,deltaT,deltaP,0.005);
// If simulation failed, clean up scratch directory and move on to next simulation
sprintf(cmd_string,"%sPhase_main_tbl.txt", prefix);
if ((fp = fopen(cmd_string, "r")) == NULL) {
fprintf(stderr, "%s : MELTS equilibration failed to produce output.\n", prefix);
sprintf(cmd_string,"rm -r %s", prefix);
system(cmd_string);
continue;
}
// Import results, if they exist. Format:
// Pressure Temperature mass S H V Cp viscosity SiO2 TiO2 Al2O3 Fe2O3 Cr2O3 FeO MnO MgO NiO CoO CaO Na2O K2O P2O5 H2O
minerals=maxMinerals;
importmelts(maxSteps, maxColumns, prefix, melts, rawMatrix, meltsrows, meltscolumns, names, elements, &minerals);
if (minerals<1 | strcmp(names[0],"liquid_0")!=0) {
fprintf(stderr, "%s : MELTS equilibration failed to calculate liquid composition.\n", prefix);
sprintf(cmd_string,"rm -r %s", prefix);
system(cmd_string);
continue;
}
// Can delete temp files after we've read them
sprintf(cmd_string,"rm -r %s", prefix);
system(cmd_string);
// Find the columns containing useful elements
for(col=0; col<meltscolumns[0]; col++){
if (strcmp(elements[0][col], "Pressure")==0) P=col;
else if (strcmp(elements[0][col], "Temperature")==0) T=col;
else if (strcmp(elements[0][col], "mass")==0) mass=col;
else if (strcmp(elements[0][col], "SiO2")==0) SiO2=col;
else if (strcmp(elements[0][col], "TiO2")==0) TiO2=col;
else if (strcmp(elements[0][col], "Al2O3")==0) Al2O3=col;
else if (strcmp(elements[0][col], "Fe2O3")==0) Fe2O3=col;
else if (strcmp(elements[0][col], "Cr2O3")==0) Cr2O3=col;
else if (strcmp(elements[0][col], "FeO")==0) FeO=col;
else if (strcmp(elements[0][col], "MnO")==0) MnO=col;
else if (strcmp(elements[0][col], "MgO")==0) MgO=col;
else if (strcmp(elements[0][col], "NiO")==0) NiO=col;
else if (strcmp(elements[0][col], "CoO")==0) CoO=col;
else if (strcmp(elements[0][col], "CaO")==0) CaO=col;
else if (strcmp(elements[0][col], "Na2O")==0) Na2O=col;
else if (strcmp(elements[0][col], "K2O")==0) K2O=col;
else if (strcmp(elements[0][col], "P2O5")==0) P2O5=col;
else if (strcmp(elements[0][col], "CO2")==0) CO2=col;
else if (strcmp(elements[0][col], "H2O")==0) H2O=col;
}
// Find the columns containing useful elements for other minerals
for (i=1; i<minerals; i++){
if (strncasecmp(names[i],"feldspar",8)==0){
for(col=0; col<meltscolumns[i]; col++){
if (strcmp(elements[i][col], "CaO")==0) fspCaO=col;
else if (strcmp(elements[i][col], "Na2O")==0) fspNa2O=col;
else if (strcmp(elements[i][col], "K2O")==0) fspK2O=col;
}
} else if (strncasecmp(names[i],"rhm_oxide",9)==0){
for(col=0; col<meltscolumns[i]; col++){
if (strcmp(elements[i][col], "TiO2")==0) oxideTiO2=col;
else if (strcmp(elements[i][col], "Fe2O3")==0) oxideFe2O3=col;
else if (strcmp(elements[i][col], "FeO")==0) oxideFeO=col;
else if (strcmp(elements[i][col], "MnO")==0) oxideMnO=col;
}
}
}
// Initial saturation state
M = meltsM(&melts[0][0][SiO2]);
Zrf = ic[16]; // Zirconium content in melt
Tf = melts[0][0][T]; // Current temperature
Zrsat = tzircZr(M, Tf); // Zirconium required for saturation
Tsatbulk = tzirc(M, Zrf); // Temperature required for saturation
// Calculate saturation temperature and minimum necessary zirconium content
Tsat=0;
Tcryst=0;
MZr=0;
Tsmax = Tsatbulk;
for(row=1; row<(meltsrows[0]-1); row++){
// Calculate bulk zircon partition coefficient at present step
Kd = 0;
for (i=1; i<minerals; i++){
// See what minerals might be crystallizing at this temperature
// so we can find their GERM partition coefficients
for (j=0; j<meltsrows[i]; j++){
if (fabs(melts[0][row][T]-melts[i][j][T]) < 0.01){
if (strncasecmp(names[i],"feldspar",8)==0){
AnKd = getGERMKd("AnKdorthite","Zr",melts[0][row][SiO2]);
AbKd = getGERMKd("Albite","Zr",melts[0][row][SiO2]);
OrKd = getGERMKd("Orthoclase","Zr",melts[0][row][SiO2]);
if (isnan(AnKd)) AnKd=0;
if (isnan(OrKd)) OrKd=0;
if (isnan(AbKd)) AbKd = (AnKd + OrKd)/2;
iKd = (220.1298+56.18)/56.18*melts[i][j][fspCaO]/100 * AnKd\
+(228.2335+30.99)/30.99*melts[i][j][fspNa2O]/100 * AbKd\
+(228.2335+47.1)/47.1*melts[i][j][fspK2O]/100 * OrKd;
} else if (strncasecmp(names[i],"rhm_oxide",9)==0){
IlmKd = getGERMKd("Ilmenite","Zr",melts[0][row][SiO2]);
MtKd = getGERMKd("Magnetite","Zr",melts[0][row][SiO2]);
if (isnan(IlmKd)) IlmKd = 0;
if (isnan(MtKd)) MtKd = 0;
iKd = (melts[i][j][oxideTiO2]+melts[i][j][oxideMnO]+(melts[i][j][oxideTiO2]\
*(71.8444/79.8768)-melts[i][j][oxideMnO]*(71.8444/70.9374)))/100 * AnKd\
+ (1 - (melts[i][j][oxideTiO2]+melts[i][j][oxideMnO]+(melts[i][j][oxideTiO2]\
*(71.8444/79.8768)-melts[i][j][oxideMnO]*(71.8444/70.9374)))/100) * MtKd;
} else {
iKd = getGERMKd(names[i],"Zr",melts[0][row][SiO2]);
}
if (isnan(iKd)){iKd = 0;}
Kd += iKd * melts[i][j][mass];
}
}
}
Kd = Kd / (100 - melts[0][row][mass]);
//Calculate melt M and [Zr]
M = meltsM(&melts[0][row][SiO2]);
Zrf = ic[16]*100/(melts[0][row][mass] + Kd*(100-melts[0][row][mass])); // Zirconium content in melt
Tf = melts[0][row][T]; // Current temperature
Zrsat = tzircZr(M, Tf); // Zirconium required for saturation
Ts = tzirc(M, Zrf); // Temperature required for saturation
// Determine how much zircon is saturated
if (Zrf>Zrsat){
MZrnow = melts[0][row][mass]/100*(Zrf-Zrsat);
if (MZr < MZrnow){
Tcryst += (MZrnow - MZr)*melts[0][row][T];
MZr = MZrnow;
}
}
// Keep track of maximum saturation temperature
if (Ts > Tsmax){
Tsmax = Ts;
}
// Check if we've cooled below the saturation temperature yet
if (Tsat==0 && Ts > melts[0][row][T]){
Tsat = Ts;
}
// Stop when we get to maximum SiO2
if (melts[0][row-1][SiO2]>(melts[0][row][SiO2])+0.01){
row--;
break;
}
// Or when remaining melt falls below minimum percent
if (melts[0][row][mass]<minPercentMelt){
row--;
break;
}
}
// If zircon never saturated, check what the best (highest) saturation temperature was
if (Tsat==0 || MZr==0){
Tsat = Tsmax;
Tcryst = NAN;
} else {
Tcryst = Tcryst / MZr;
}
// Get back bulk M
M = meltsM(&melts[0][0][SiO2]);
// Print results. Format:
// Kv, Mbulk, Tliquidus, Tsatbulk, Tf, Tsat, Zrsat, Zrf, Ff, SiO2, Zrbulk, MZr, Tcryst
printf("%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\t%g\n", ic[17], M, melts[0][0][T], Tsatbulk, Tf, Tsat, Zrsat, Zrf, melts[0][row][mass], melts[0][0][SiO2], ic[16], MZr, Tcryst);
}
}
MPI_Finalize();
return 0;
}
int main(int argc, char** argv)
{
memory = new (nothrow) Memory(100); //memory management structure
if(argc<5) //not enough arguments
printusage(argv[0]);
if(argc>5) //debug level provided, parse
debuglevel=atoi(argv[5]);
if(debuglevel<0 || debuglevel>9) //debug level weird
printusage(argv[0]);
//choose method
int method=-1;
if(strncmp(argv[2], "gml", 3)==0)
method=0;
else if(strncmp(argv[2], "csv", 3)==0)
method=1;
Nodes* nodes=NULL;
switch(method)
{
case 0:
{
nodes = gmlparse(argv[1]); //parse nodes as gml
break;
}
case 1:
{
nodes = csvparse(argv[1]);
break;
}
default:
{
printusage(argv[0]);
}
}
if(nodes==NULL)
{
//something got wrong
printf("E: Parsing failed. Exiting...\n");
delete memory;
exit(1);
}
//for(int i=0; i<nodes->hashmap->max; i++)
// printf("Bucket %d: %d items\n", i, nodes->hashmap->counts[i]);
if(nodes->count<100)
nodes->Print();
debug(2, "---------------------------------------");
//find root by name
Node* root = nodes->Find(argv[4]);
if(root==NULL)
{
printf("E: You must choose valid node id!\n");
delete memory;
return 1;
}
//compute Dijkstra
nodes->SPF(root, argv[3]);
//delete memory structure (will free everything)
delete memory;
return 0;
}
