/// Print information about the simulation in a format that is (mostly)
/// YAML compliant.
void printSimulationDataYaml(FILE* file, SimFlat* s)
{
// All ranks get maxOccupancy
int maxOcc = maxOccupancy(s->boxes);
// Only rank 0 prints
if (! printRank())
return;
fprintf(file,"Simulation data: \n");
fprintf(file," Total atoms : %d\n",
s->atoms->nGlobal);
fprintf(file," Min global bounds : [ %14.10f, %14.10f, %14.10f ]\n",
s->domain->globalMin[0], s->domain->globalMin[1], s->domain->globalMin[2]);
fprintf(file," Max global bounds : [ %14.10f, %14.10f, %14.10f ]\n",
s->domain->globalMax[0], s->domain->globalMax[1], s->domain->globalMax[2]);
printSeparator(file);
fprintf(file,"Decomposition data: \n");
fprintf(file," Processors : %6d,%6d,%6d\n",
s->domain->procGrid[0], s->domain->procGrid[1], s->domain->procGrid[2]);
fprintf(file," Local boxes : %6d,%6d,%6d = %8d\n",
s->boxes->gridSize[0], s->boxes->gridSize[1], s->boxes->gridSize[2],
s->boxes->gridSize[0]*s->boxes->gridSize[1]*s->boxes->gridSize[2]);
fprintf(file," Box size : [ %14.10f, %14.10f, %14.10f ]\n",
s->boxes->boxSize[0], s->boxes->boxSize[1], s->boxes->boxSize[2]);
fprintf(file," Box factor : [ %14.10f, %14.10f, %14.10f ] \n",
s->boxes->boxSize[0]/s->pot->cutoff,
s->boxes->boxSize[1]/s->pot->cutoff,
s->boxes->boxSize[2]/s->pot->cutoff);
fprintf(file, " Max Link Cell Occupancy: %d of %d\n",
maxOcc, MAXATOMS);
printSeparator(file);
fprintf(file,"Potential data: \n");
s->pot->print(file, s->pot);
// Memory footprint diagnostics
int perAtomSize = 10*sizeof(real_t)+2*sizeof(int);
float mbPerAtom = perAtomSize/1024/1024;
float totalMemLocal = (float)(perAtomSize*s->atoms->nLocal)/1024/1024;
float totalMemGlobal = (float)(perAtomSize*s->atoms->nGlobal)/1024/1024;
int nLocalBoxes = s->boxes->gridSize[0]*s->boxes->gridSize[1]*s->boxes->gridSize[2];
int nTotalBoxes = (s->boxes->gridSize[0]+2)*(s->boxes->gridSize[1]+2)*(s->boxes->gridSize[2]+2);
float paddedMemLocal = (float) nLocalBoxes*(perAtomSize*MAXATOMS)/1024/1024;
float paddedMemTotal = (float) nTotalBoxes*(perAtomSize*MAXATOMS)/1024/1024;
printSeparator(file);
fprintf(file,"Memory data: \n");
fprintf(file, " Intrinsic atom footprint = %4d B/atom \n", perAtomSize);
fprintf(file, " Total atom footprint = %7.3f MB (%6.2f MB/node)\n", totalMemGlobal, totalMemLocal);
fprintf(file, " Link cell atom footprint = %7.3f MB/node\n", paddedMemLocal);
fprintf(file, " Link cell atom footprint = %7.3f MB/node (including halo cell data\n", paddedMemTotal);
fflush(file);
}
/// Print information about the simulation in a format that is (mostly)
/// YAML compliant.
void printSimulationDataYaml(FILE* file, SimFlat* s)
{
// All ranks get maxOccupancy
int maxOcc = maxOccupancy(s->boxes);
// Only rank 0 prints
if (!PRINT_YAML || !printRank())
return;
fprintf(file,"Simulation data: \n");
fprintf(file," Total atoms : %d\n",
s->atoms->nGlobal);
fprintf(file," Min global bounds : [ %14.10f, %14.10f, %14.10f ]\n",
s->domain->globalMin[0], s->domain->globalMin[1], s->domain->globalMin[2]);
fprintf(file," Max global bounds : [ %14.10f, %14.10f, %14.10f ]\n",
s->domain->globalMax[0], s->domain->globalMax[1], s->domain->globalMax[2]);
printSeparator(file);
fprintf(file,"Decomposition data: \n");
fprintf(file," Processors : %6d,%6d,%6d\n",
s->domain->procGrid[0], s->domain->procGrid[1], s->domain->procGrid[2]);
fprintf(file," Local boxes : %6d,%6d,%6d = %8d\n",
s->boxes->gridSize[0], s->boxes->gridSize[1], s->boxes->gridSize[2],
s->boxes->gridSize[0]*s->boxes->gridSize[1]*s->boxes->gridSize[2]);
fprintf(file," Box size : [ %14.10f, %14.10f, %14.10f ]\n",
s->boxes->boxSize[0], s->boxes->boxSize[1], s->boxes->boxSize[2]);
fprintf(file," Box factor : [ %14.10f, %14.10f, %14.10f ] \n",
s->boxes->boxSize[0]/s->pot->cutoff,
s->boxes->boxSize[1]/s->pot->cutoff,
s->boxes->boxSize[2]/s->pot->cutoff);
fprintf(file, " Max Link Cell Occupancy: %d of %d\n",
maxOcc, MAXATOMS);
printSeparator(file);
fprintf(file,"Potential data: \n");
s->pot->print(file, s->pot);
fflush(file);
}
