void CRenderOutput::UpdateStatus(float percent, float time)
{
char szBuf[150];
refresh++;
if (refresh % 10 == 0 || percent == 1.0 || percent == 0.0)
{
if (percent < .0)
percent = .0;
if (percent > 1.0)
percent = 1.0;
m_Progress.SetPos(int(percent*100));
sprintf(szBuf, "%3.0f %%", percent*100);
SetDlgItemText(ID_PERCENT, szBuf);
if (percent > .0)
{
Time(szBuf, "Time elapsed:", time);
SetDlgItemText(ID_ELAPSED, szBuf);
Time(szBuf, "Left:", (float)clock_t(time/percent) - time);
SetDlgItemText(ID_TIMELEFT, szBuf);
Time(szBuf, "Estimated:", (float)clock_t(time/percent));
SetDlgItemText(ID_ESTIMAT, szBuf);
}
}
}
void CRenderOutput::Time(char *buffer, char *text, float time)
{
clock_t h, m, s;
h = clock_t(time/3600);
m = clock_t(fmod((time/60), 60));
s = clock_t(fmod(time, 60));
sprintf(buffer, "%s %02d:%02d:%02d", text, h, m, s);
}
bool time_to_save() {
static clock_t output_period = CLOCKS_PER_SEC; // start at outputting every second
// top out at one hour interval
clock_t max_output_period = clock_t(CLOCKS_PER_SEC)*60*60;
static clock_t last_save_time = 0;
static int iterations = 0;
static int how_often = 1;
// clock can be expensive under fac, so this is a heuristic to
// reduce our use of it.
if (++iterations % how_often == 0) {
const clock_t time_now = clock();
if(time_now-last_save_time > output_period){
if (output_period < max_output_period/2) output_period *= 2;
else if (output_period < max_output_period)
output_period = max_output_period;
how_often = 1+ iterations/3; // our simple heuristic
last_save_time = time_now;
iterations = 0;
// flushing occasionally will be no problem and can be helpful
// if we forget.
fflush(stdout);
return true;
}
}
return false;
}
uint32 MarkedDelegateQueue::callDelegates()
{
clock_t nowTime = clock();
uint32 num = 0;
for (DelegateQueue::iterator iter = m_delegates.begin();
iter != m_delegates.end();
)
{
DelegateQueueItem &item = iter->second;
if (iter->second.isMarked || nowTime - item.enterTime > clock_t(m_expireMillSeconds))
{
if (iter->second.isMarked)
{
iter->second.d();
++num;
}
iter = m_delegates.erase(iter);
}
else
{
break;
}
}
return num;
}
void sleep(int seconds)
// WINDOWS sleep
{
clock_t endwait;
endwait = clock_t(clock() + seconds * CLOCKS_PER_SEC);
while (clock() < endwait) {}
}
bool Forward_DepthF_Search(vind frwind0,vind fvind,vind lvind,vind nvfrwd)
{
vind nv,minnv,maxnv,minnvfrd,maxnvfrd;
vind t,frwind(frwind0);
real maxstcrt(NOBND);
subsetdata* prvdatapt;
if (lvind-fvind > 10) {
newtime = clock();
if (newtime==clock_t(-1)) {
msg("Eleaps error: time overflow\n");
return false;
}
rtime -= static_cast<double>(newtime-ctime);
if (rtime < 0.) return false; // Exit if time limit was exceded
ctime = newtime;
}
// Find maximal subset dimensionalities of current tree branches
if ( (maxnvfrd=nvfrwd+lvind-fvind+1) > maxdim) maxnvfrd = maxdim;
// Start pivoting variables
{ for (vind u=fvind;u<=lvind;u++) {
t = lvind-u;
// Set number of variables in the susbset where the current pivot will be performed
nv = minnvfrd = nvfrwd+u-fvind+1;
if (maxnvfrd >= mindim && minnvfrd <= maxdim) {
// Make a pivot
if (minnvfrd < mindim) pivot(SW,SRC,frwind,t,nv,u,t,mindim,maxnvfrd,false);
else if (minnvfrd < maxdim) pivot(SW,SRC,frwind,t,nv,u,t,minnvfrd,maxnvfrd,false);
else pivot(SW,SRC,frwind,0,nv,u,t,minnvfrd,maxnvfrd,false);
}
if (t > 0) { // Keep track of source memory for current forward search results
prvks[t-1] = frwind;
frwind = t; // Update memory index
}
} }
// Process recursevly the subtrees created by the previous cycle
{ for (vind i=0;i<lvind-fvind;i++) {
minnv = nvfrwd+lvind-fvind-i;
maxnv = nvfrwd+lvind-fvind;
if (minnv <= maxdim && maxnv >= mindim)
if (!Forward_DepthF_Search(prvks[i],lvind-i,lvind,minnv-1)) return false;
} }
return true;
}
void process_clock::now( process_times & times_, system::error_code & ec ) {
tms tm;
clock_t c = ::times( &tm );
if ( c == clock_t(-1) ) // error
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
times_.real = times_.system = times_.user = nanoseconds(-1);
}
}
else
{
times_.real = microseconds(c);
times_.system = microseconds(tm.tms_stime + tm.tms_cstime);
times_.user = microseconds(tm.tms_utime + tm.tms_cutime);
if ( chrono_detail::tick_factor() != -1 )
{
if (!BOOST_CHRONO_IS_THROWS(ec))
{
ec.clear();
}
times_.real *= chrono_detail::tick_factor();
times_.user *= chrono_detail::tick_factor();
times_.system *= chrono_detail::tick_factor();
}
else
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
times_.real = times_.user = times_.system = nanoseconds(-1);
}
}
}
}
process_cpu_clock::time_point process_cpu_clock::now(
system::error_code & ec )
{
tms tm;
clock_t c = ::times( &tm );
if ( c == clock_t(-1) ) // error
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
return time_point();
}
}
else
{
if ( chrono_detail::tick_factor() != -1 )
{
time_point::rep r(
c*chrono_detail::tick_factor(),
(tm.tms_utime + tm.tms_cutime)*chrono_detail::tick_factor(),
(tm.tms_stime + tm.tms_cstime)*chrono_detail::tick_factor());
return time_point(duration(r));
}
else
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
return time_point();
}
}
}
}
void LLWLAnimator::startInterpolation(const LLSD& targetWater)
{
mInterpBeginWL->setAll(LLWLParamManager::getInstance()->mCurParams.getAll());
mInterpBeginWater->setAll(LLWaterParamManager::getInstance()->mCurParams.getAll());
mInterpStartTime = clock();
mInterpEndTime = mInterpStartTime + clock_t(INTERP_TOTAL_SECONDS) * CLOCKS_PER_SEC;
// Don't set any ending WL -- this is continuously calculated as the animator updates since it's a moving target
mInterpEndWater->setAll(targetWater);
mIsInterpolating = true;
}
process_real_cpu_clock::time_point process_real_cpu_clock::now(
system::error_code & ec)
{
tms tm;
clock_t c = ::times( &tm );
if ( c == clock_t(-1) ) // error
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_real_cpu_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
return time_point();
}
}
else
{
if ( chrono_detail::tick_factor() != -1 )
{
if (!BOOST_CHRONO_IS_THROWS(ec))
{
ec.clear();
}
return time_point(
microseconds(c)*chrono_detail::tick_factor());
}
else
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
boost::throw_exception(
system::system_error(
errno,
BOOST_CHRONO_SYSTEM_CATEGORY,
"chrono::process_real_cpu_clock" ));
}
else
{
ec.assign( errno, BOOST_CHRONO_SYSTEM_CATEGORY );
return time_point();
}
}
}
}
int main(void){
int i,j,x,no,stage;
int dgt[9] = {1,2,3,4,5,6,7,8,9,};
int a[8];
double jikan;
clock_t start,end;
srand(time(NULL));
printf("欠けている数字を入力してください。\n");
start = clock_t();
for(stage=0 ; stage<MAX_STAGE ; stage++){
x = rand()%9;
i=j=0;
while(i<9){
if(i != x)
a[j++] = dgt[i];
i++
}
for(i=0;i<8;i++)
printf("%d ",a[i]);
printf(":");
do{
scanf("%d",&no);
}while(no != dgt[x]);
}
end = clock();
jikan = (double)(end - start)/(CLOCK_PER_SEC);
printf("%.1f秒掛かりました。\n",jikan );
if(jikan > 25.0)
printf("鈍すぎます\n");
else if(jikan > 20.0)
printf("少し鈍い\n");
else if(jikan > 17.0)
printf("まあまあ\n");
else
printf("素早い!!\n");
return(0);
}
process_cpu_clock::time_point process_cpu_clock::now(
system::error_code & ec )
{
tms tm;
clock_t c = ::times( &tm );
if ( c == clock_t(-1) ) // error
{
if (::boost::chrono::is_throws(ec))
{
boost::throw_exception(
system::system_error(
errno,
::boost::system::system_category(),
"chrono::process_clock" ));
}
else
{
ec.assign( errno, ::boost::system::system_category() );
return time_point();
}
}
else
{
if ( chrono_detail::tick_factor() != -1 )
{
time_point::rep r(
c*chrono_detail::tick_factor(),
(tm.tms_utime + tm.tms_cutime)*chrono_detail::tick_factor(),
(tm.tms_stime + tm.tms_cstime)*chrono_detail::tick_factor());
return time_point(duration(r));
}
else
{
if (::boost::chrono::is_throws(ec))
{
boost::throw_exception(
system::system_error(
errno,
::boost::system::system_category(),
"chrono::process_clock" ));
}
else
{
ec.assign( errno, ::boost::system::system_category() );
return time_point();
}
}
}
}
void LLWLAnimator::startInterpolation(const LLSD& targetWater)
{
mInterpBeginWL->setAll(LLWLParamManager::getInstance()->mCurParams.getAll());
mInterpBeginWater->setAll(LLWaterParamManager::getInstance()->mCurParams.getAll());
mInterpStartTime = clock();
// <FS:Ansariel> Custom Windlight interpolate time
//mInterpEndTime = mInterpStartTime + clock_t(INTERP_TOTAL_SECONDS) * CLOCKS_PER_SEC;
mInterpEndTime = mInterpStartTime + clock_t((F64)gSavedSettings.getF32("FSWindlightInterpolateTime")) * CLOCKS_PER_SEC;
// Don't set any ending WL -- this is continuously calculated as the animator updates since it's a moving target
mInterpEndWater->setAll(targetWater);
mIsInterpolating = true;
}
bool Forward_BreadthF_Search(vind frwind0,vind fvind,vind lvind,vind nvfrwd)
{
vind nv,t,maxnv;
if (lvind-fvind > 10) {
newtime = clock();
if (newtime==clock_t(-1)) {
msg("Eleaps error: time overflow\n");
return false;
}
rtime -= static_cast<double>(newtime-ctime);
if (rtime < 0.) return false; // Exit if time limit was exceded
ctime = newtime;
}
// Find maximal subset dimensionaly of current tree branch
if ( (maxnv=nvfrwd+lvind-fvind+1) > maxdim) maxnv = maxdim;
// Get number of variables in the susbset where the current pivot will be performed
nv = nvfrwd + 1;
if (maxnv < mindim || nv > maxdim) return true;
// Start pivoting variables
{ for (vind u=fvind;u<=lvind;u++) {
t = lvind-u;
if (nv < mindim) pivot(SW,SRC,frwind0,t,nv,u,t,mindim,lvind,false);
else pivot(SW,SRC,frwind0,t,nv,u,t,nv,lvind,false);
} }
// Process recursevly the subtrees created by the previous cycle
for (vind i=1;i<=lvind-fvind;i++) if ( !(SW->subsetat(i).getdata().nopivot()) )
if (!Forward_BreadthF_Search(i,lvind-i+1,lvind,nvfrwd+1)) return false;
return true;
}
process_system_cpu_clock::time_point process_system_cpu_clock::now(system::error_code & ec)
{
tms tm;
clock_t c = ::times(&tm);
if (c == clock_t(-1)) // error
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
pdalboost::throw_exception(system::system_error(errno, BOOST_CHRONO_SYSTEM_CATEGORY, "chrono::process_system_cpu_clock"));
} else
{
ec.assign(errno, BOOST_CHRONO_SYSTEM_CATEGORY);
return time_point();
}
} else
{
long factor = chrono_detail::tick_factor();
if (factor != -1)
{
if (!BOOST_CHRONO_IS_THROWS(ec))
{
ec.clear();
}
return time_point(nanoseconds((tm.tms_stime + tm.tms_cstime) * factor));
} else
{
if (BOOST_CHRONO_IS_THROWS(ec))
{
pdalboost::throw_exception(system::system_error(errno, BOOST_CHRONO_SYSTEM_CATEGORY, "chrono::process_system_cpu_clock"));
} else
{
ec.assign(errno, BOOST_CHRONO_SYSTEM_CATEGORY);
return time_point();
}
}
}
}
//Terminate
DWORD CActiveSessions::Terminate(DWORD dwTime)
{
if(_thread <= 0)
return S_OK;
SetEvent(_hEventExit);
DWORD TimeExit = WaitForSingleObject(_hExitTimerEvent, dwTime);
switch(TimeExit)
{
case WAIT_OBJECT_0:
// Ol OK ...
break;
case WAIT_TIMEOUT:
/// Thread can'not Del ...
//ASSERT(FALSE);
break;
default :
//ASSERT(FALSE);
break;
}
CloseHandle (reinterpret_cast<HANDLE>(_thread));
_thread = 0;
clock_t finish;
finish = clock() + clock_t(dwTime);
try
{
if(finish > clock())
{
/// Закрыть ...
MYPOSITION pos;
if(_matrix.GetStartPosition(pos))
{
long id;
TCHAR sid[COFSMatrix::_sidSize];
CActiveSession* pActiveSession = NULL;
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
while(pActiveSession && finish>clock())
{
ASSERT(pActiveSession != NULL);
pActiveSession->CloseSession();
pActiveSession->ReleasePointer();
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
}
}
}
//// Подождать когда все закроются ...
while (finish>clock())
{
long id;
TCHAR sid[COFSMatrix::_sidSize];
CActiveSession* pActiveSession = NULL;
MYPOSITION pos;
while(finish > clock())
{
BOOL bExit = TRUE;
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
while(pActiveSession && finish > clock())
{
if(!pActiveSession->IsClosed())
bExit = FALSE;
pActiveSession->ReleasePointer();
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
}
if(bExit)
break;
Sleep(1);
}
}
}
catch(...)
{
ASSERT(FALSE);
}
try
{
//// Просто убить ...
MYPOSITION pos;
if(_matrix.GetStartPosition(pos))
{
long id;
TCHAR sid[COFSMatrix::_sidSize];
CActiveSession* pActiveSession = NULL;
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
while(pActiveSession)
{
ASSERT(pActiveSession != NULL);
if(!pActiveSession->IsClosed())
pActiveSession->UpdateConnection(NULL, FALSE);
pActiveSession->ReleasePointer();
_matrix.Remove(id);
_matrix.GetNextAssoc(pos, id, sid, COFSMatrix::_sidSize, pActiveSession);
}
}
}
catch(...)
{
ASSERT(FALSE);
}
return (finish>clock())?TRUE:FALSE;
}
int main(int argc, char *argv[]){
if (argc != 5) {
printf("usage: %s packing-fraction uncertainty_goal dr filename\n", argv[0]);
return 1;
}
const char *outfilename = argv[4];
const double packing_fraction = atof(argv[1]);
const double mean_density = packing_fraction/(4*M_PI/3*R*R*R);
const long N = (mean_density*lenx*leny*lenz - 1) + 0.5;
printf("density %g, packing fraction %g gives N %ld\n", mean_density, packing_fraction, N);
fflush(stdout);
const double dr = atof(argv[3]);
Vector3d *spheres = new Vector3d[N];
//////////////////////////////////////////////////////////////////////////////////////////
// We start with randomly-placed spheres, and then gradually wiggle
// them around until they are all within bounds and are not
// overlapping. We do this by creating an "overlap" value which we
// constrain to never increase. Note that this may not work at all
// for high filling fractions, since we could get stuck in a local
// minimum.
for(long i=0; i<N; i++) {
spheres[i]=10*lenx*ran3();
}
clock_t start = clock();
long num_to_time = 100*N;
long num_timed = 0;
long i = 0;
double scale = .005;
// At this stage, we'll set up our output grid...
long div = long((lenx/2 - innerRad)/dr);
if (div < 10) div = 10;
printf("Using %ld divisions, dx ~ %g\n", div, (lenx/2 - innerRad)/div);
double *radius = new double[div+1];
for (long i=0;i<div+1;i++) radius[i] = innerRad + (lenx/2 - innerRad)*double(i)/div;
const double uncertainty_goal = atof(argv[2]);
const double minvolume = M_PI*(radius[1]*radius[1]*radius[1] - innerRad*innerRad*innerRad)/2;
const double num_in_min_volume = minvolume*N/lenx/leny/lenz;
const long iterations = 2.0/uncertainty_goal/uncertainty_goal/num_in_min_volume;
printf("running with %ld spheres for %ld iterations.\n", N, iterations);
fflush(stdout);
// Let's move each sphere once, so they'll all start within our
// periodic cell!
for (i=0;i<N;i++) spheres[i] = move(spheres[i], scale);
clock_t starting_initial_state = clock();
printf("Initial countOverLaps is %g\n", countOverLaps(spheres, N, R));
while (countOverLaps(spheres, N, R)>0){
for (int movethis=0;movethis < 100*N; movethis++) {
if (num_timed++ > num_to_time) {
clock_t now = clock();
//printf("took %g seconds per initialising iteration\n",
// (now - double(start))/CLOCKS_PER_SEC/num_to_time);
num_timed = 0;
start = now;
}
Vector3d old =spheres[i%N];
double oldoverlap = countOneOverLap(spheres, N, i%N, R);
spheres[i%N]=move(spheres[i%N],scale);
double newoverlap = countOneOverLap(spheres, N, i%N, R);
if(newoverlap>oldoverlap){
spheres[i%N]=old;
}
i++;
if (i%(100*N) == 0) {
if (i>iterations/4) {
for(long i=0; i<N; i++) {
printf("%g\t%g\t%g\n", spheres[i][0],spheres[i][1],spheres[i][2]);
}
printf("couldn't find good state\n");
exit(1);
}
char *debugname = new char[10000];
sprintf(debugname, "%s.debug", outfilename);
FILE *spheredebug = fopen(debugname, "w");
for(long i=0; i<N; i++) {
fprintf(spheredebug, "%g\t%g\t%g\n", spheres[i][0],spheres[i][1],spheres[i][2]);
}
fclose(spheredebug);
printf("numOverLaps=%g (debug file: %s)\n",countOverLaps(spheres,N,R), debugname);
delete[] debugname;
fflush(stdout);
}
}
}
assert(countOverLaps(spheres, N, R) == 0);
{
clock_t now = clock();
//printf("took %g seconds per initialising iteration\n",
// (now - double(start))/CLOCKS_PER_SEC/num_to_time);
printf("\nFound initial state in %g days!\n", (now - double(starting_initial_state))/CLOCKS_PER_SEC/60.0/60.0/24.0);
}
// Here we use a hokey heuristic to decide on an average move
// distance, which is proportional to the mean distance between
// spheres.
const double mean_spacing = pow(lenx*leny*lenz/N, 1.0/3);
if (mean_spacing > 2*R) {
scale = 2*(mean_spacing - 2*R);
} else {
scale = 0.1;
}
printf("Using scale of %g\n", scale);
long count = 0;
long *shells = new long[div];
for (long l=0; l<div; l++) shells[l] = 0;
double *density = new double[div];
/////////////////////////////////////////////////////////////////////////////
num_to_time = 1000;
start = clock();
num_timed = 0;
double secs_per_iteration = 0;
long workingmoves=0;
clock_t output_period = CLOCKS_PER_SEC*60; // start at outputting every minute
clock_t max_output_period = clock_t(CLOCKS_PER_SEC)*60*30; // top out at half hour interval
clock_t last_output = clock(); // when we last output data
for (long j=0; j<iterations; j++){
num_timed = num_timed + 1;
if (num_timed > num_to_time || j == iterations - 1) {
num_timed = 0;
///////////////////////////////////////////start of print.dat
const clock_t now = clock();
secs_per_iteration = (now - double(start))/CLOCKS_PER_SEC/num_to_time;
if (secs_per_iteration*num_to_time < 1) {
printf("took %g microseconds per iteration\n", 1000000*secs_per_iteration);
num_to_time *= 2;
} else {
// Set the number of iterations to time to a minute, so we
// won't check *too* many times.
num_to_time = long(60/secs_per_iteration);
}
start = now;
if (now - last_output > output_period || j == iterations - 1) {
last_output = now;
if (output_period < max_output_period/2) {
output_period *= 2;
} else if (output_period < max_output_period) {
output_period = max_output_period;
}
{
double secs_done = double(now)/CLOCKS_PER_SEC;
long mins_done = secs_done / 60;
long hours_done = mins_done / 60;
mins_done = mins_done % 60;
if (hours_done > 50) {
printf("Saved data after %ld hours\n", hours_done);
} else if (mins_done < 1) {
printf("Saved data after %.1f seconds\n", secs_done);
} else if (hours_done < 1) {
printf("Saved data after %ld minutes\n", mins_done);
} else if (hours_done < 2) {
printf("Saved data after one hour %ld minutes\n", mins_done);
} else {
printf("Saved data after %ld hours, %ld minutes\n", hours_done, mins_done);
}
fflush(stdout);
}
for(long i=0; i<div; i++){
const double rmax = radius[i+1];
const double rmin = radius[i];
const double num_counted = (j+1)/double(N);
const double dV = 4/3.*M_PI*(rmax*rmax*rmax - rmin*rmin*rmin);
density[i]=shells[i]/dV/num_counted*(4*M_PI/3);
}
FILE *out = fopen((const char *)outfilename,"w");
if (out == NULL) {
printf("Error creating file %s\n", outfilename);
return 1;
}
// We will just extrapolate to the contact point with a linear
// extrapolation. We could do better than this, but this
// should be good enough once we have solid statistics. And
// in a pinch we could always delete this first line.
fprintf(out, "%g\t%g\n", radius[0], 1.5*density[0] - 0.5*density[1]);
fprintf(out, "%g\t%g\n", 0.5*(radius[0]+radius[1]), density[0]);
long divtoprint = div;
divtoprint = div - 1;
for(long i=1; i<divtoprint; i++){
fprintf(out, "%g\t%g\n", 0.5*(radius[i]+radius[i+1]), density[i]);
}
fflush(stdout);
fclose(out);
}
///////////////////////////////////////////end of print.dat
}
// only write out the sphere positions after they've all had a
// chance to move
if (workingmoves%N == 0) {
for (long i=0;i<N;i++) {
//printf("Sphere at %.1f %.1f %.1f\n", spheres[i][0], spheres[i][1], spheres[i][2]);
shells[shell(spheres[i], div, radius)]++;
}
}
if(j % (iterations/100)==0 && j != 0){
double secs_to_go = secs_per_iteration*(iterations - j);
long mins_to_go = secs_to_go / 60;
long hours_to_go = mins_to_go / 60;
mins_to_go = mins_to_go % 60;
if (hours_to_go > 5) {
printf("%.0f%% complete... (%ld hours to go)\n",j/(iterations*1.0)*100, hours_to_go);
} else if (mins_to_go < 1) {
printf("%.0f%% complete... (%.1f seconds to go)\n",j/(iterations*1.0)*100, secs_to_go);
} else if (hours_to_go < 1) {
printf("%.0f%% complete... (%ld minutes to go)\n",j/(iterations*1.0)*100, mins_to_go);
} else if (hours_to_go < 2) {
printf("%.0f%% complete... (1 hour, %ld minutes to go)\n",j/(iterations*1.0)*100, mins_to_go);
} else {
printf("%.0f%% complete... (%ld hours, %ld minutes to go)\n",j/(iterations*1.0)*100, hours_to_go, mins_to_go);
}
char *debugname = new char[10000];
sprintf(debugname, "%s.debug", outfilename);
FILE *spheredebug = fopen(debugname, "w");
for(long i=0; i<N; i++) {
fprintf(spheredebug, "%g\t%g\t%g\n", spheres[i][0],spheres[i][1],spheres[i][2]);
}
fclose(spheredebug);
delete[] debugname;
fflush(stdout);
}
Vector3d temp = move(spheres[j%N],scale);
count++;
if(!overlap(spheres, temp, N, R, j%N)){
spheres[j%N] = temp;
workingmoves++;
}
}
//////////////////////////////////////////////////////////////////////////////////////////
printf("Total number of attempted moves = %ld\n",count);
printf("Total number of successful moves = %ld\n",workingmoves);
printf("Acceptance rate = %g\n", workingmoves/double(count));
fflush(stdout);
delete[] shells;
delete[] density;
delete[] spheres;
}
return;
}
LLEnvManagerNew::getInstance()->onRegionSettingsResponse(unvalidated_content);
}
/*virtual*/ void LLEnvironmentRequestResponder::error(U32 status, const std::string& reason)
{
LL_INFOS("WindlightCaps") << "Got an error, not using region windlight..." << LL_ENDL;
LLEnvManagerNew::getInstance()->onRegionSettingsResponse(LLSD());
}
/****
* LLEnvironmentApply
****/
clock_t LLEnvironmentApply::UPDATE_WAIT_SECONDS = clock_t(3.f);
clock_t LLEnvironmentApply::sLastUpdate = clock_t(0.f);
// static
bool LLEnvironmentApply::initiateRequest(const LLSD& content)
{
clock_t current = clock();
// Make sure we don't update too frequently.
if (current < sLastUpdate + (UPDATE_WAIT_SECONDS * CLOCKS_PER_SEC))
{
LLSD args(LLSD::emptyMap());
args["WAIT"] = (F64)UPDATE_WAIT_SECONDS;
LLNotifications::instance().add("EnvUpdateRate", args);
return false;
}
bool Rev_Leaps_Search(vind frwind0,vind bckind0,vind fvind,vind lvind,vind nvfrwd,vind nvbckwrd)
{
vind prvbckind,bckind(bckind0);
vind nv,t,minnv,maxnv,minnvfrd,minnvbkrd,maxnvfrd,maxnvbkrd;
real maxstcrt(NOBND);
const real* icrtcmpll;
// pointer to list with individual criterion components for sums of quadratic form
// criteria with as many parcels as variables in each subset
subsetdata* prvdatapt;
if (lvind-fvind > 10) {
newtime = clock();
if (newtime==clock_t(-1)) {
msg("Eleaps error: time overflow\n");
return false;
}
rtime -= static_cast<double>(newtime-ctime);
if (rtime < 0.) return false; // Exit if time limit was exceded
ctime = newtime;
}
// Find minimal subset dimensionalities of current tree branches
if ( (minnvbkrd=nvbckwrd-frwind0) < mindim) minnvbkrd = mindim;
minnvfrd = nvfrwd+1;
// Start pivoting variables
{ for (vind u=fvind;u<lvind;u++) {
t = lvind-u-1;
// Get number of variables in the susbset where the current forward pivot will be performed
nv = nvfrwd + 1;
if ( (maxnvfrd=nvfrwd+frwind0+fvind-i) > maxdim) maxnvfrd = maxdim;
if (maxnvfrd >= mindim && minnvfrd <= maxdim)
// Make a forward pivot
if (minnvfrd < mindim) pivot(SW,SRC,frwind0,t,nv,u,t,mindim,lvind,false);
else if (minnvfrd < maxdim) pivot(SW,SRC,frwind0,t,nv,u,t,minnvfrd,lvind,false);
else pivot(SW,SRC,frwind0,0,nv,u,t,minnvfrd,lvind,false);
// Get number of variables in the susbset where the current backward pivot will be performed
nv = maxnvbkrd = nvbckwrd-1+fvind-u;
if (maxnvbkrd >= mindim && minnvbkrd <= maxdim) {
// Make a backward pivot
if (maxnvbkrd > maxdim) pivot(IW,INV,bckind,t,nv,u,t,minnvbkrd,maxdim,false);
else if (maxnvbkrd > mindim) pivot(IW,INV,bckind,t,nv,u,t,minnvbkrd,maxnvbkrd,false);
else pivot(IW,INV,bckind,0,nv,u,t,minnvbkrd,maxnvbkrd,false);
}
if (t > 0) { // Keep track of source memory for current backward search results
prvks[t-1] = bckind;
bckind = t; // Update memory index for forward search
}
} }
// Process recursevly the subtrees created by the previous cycle
{ for (vind i=1;i<lvind-fvind;i++) {
minnv = nvfrwd+2;
maxnv = nvfrwd+i+1;
if (minnv <= maxdim && maxnv >= mindim) {
if (minnv < mindim) minnv = mindim;
if (maxnv > maxdim) maxnv = maxdim;
if (minnv > maxnv) minnv = maxnv;
prvdatapt = &IW->subsetat((prvbckind=prvks[i-1])+1).getdata();
if ( !prvdatapt->nopivot() ) {
maxstcrt = prvdatapt->criterion(); // Get criterion for maximal subset in the next subtree
icrtcmpll = prvdatapt->getsqfparcels();
if (!leap(pcrttp,maxstcrt,icrtcmpll,minnv,maxnv) ) // test if maxstcrt is better than current bounds
if (!Rev_Leaps_Search(i,prvks[i-1],lvind-i,lvind,nvfrwd+1,nvbckwrd-frwind0+i+1)) return false;
}
}
} }
return true;
}
void Wait(float seconds)
{
clock_t endWait;
endWait = clock_t(clock () + seconds * CLOCKS_PER_SEC);
while (clock() < endWait) {}
}
stop_watch() {
t = clock_t(0);
on = false;
}
int main(int argc, const char *argv[]) {
took("Starting program");
// ----------------------------------------------------------------------------
// Define "Constants" -- set from arguments then unchanged
// ----------------------------------------------------------------------------
// NOTE: debug can slow things down VERY much
int debug = false;
int test_weights = false;
int print_weights = false;
int no_weights = false;
double fix_kT = 0;
int flat_histogram = false;
int gaussian_fit = false;
int walker_weights = false;
int wang_landau = false;
double wl_factor = 0.125;
double wl_fmod = 2;
double wl_threshold = 0.1;
double wl_cutoff = 1e-6;
sw_simulation sw;
sw.len[0] = sw.len[1] = sw.len[2] = 1;
sw.walls = 0;
int wall_dim = 1;
unsigned long int seed = 0;
char *dir = new char[1024];
sprintf(dir, "papers/square-well-liquid/data");
char *filename = new char[1024];
sprintf(filename, "default_filename");
sw.N = 1000;
long iterations = 2500000;
long initialization_iterations = 500000;
double acceptance_goal = .4;
double R = 1;
double well_width = 1.3;
double ff = 0.3;
double neighbor_scale = 2;
sw.dr = 0.1;
double de_density = 0.1;
double de_g = 0.05;
double max_rdf_radius = 10;
int totime = 0;
// scale is not a quite "constant" -- it is adjusted during the initialization
// so that we have a reasonable acceptance rate
double translation_scale = 0.05;
poptContext optCon;
// ----------------------------------------------------------------------------
// Set values from parameters
// ----------------------------------------------------------------------------
poptOption optionsTable[] = {
{"N", '\0', POPT_ARG_INT, &sw.N, 0, "Number of balls to simulate", "INT"},
{"ww", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT, &well_width, 0,
"Ratio of square well width to ball diameter", "DOUBLE"},
{"ff", '\0', POPT_ARG_DOUBLE, &ff, 0, "Filling fraction. If specified, the "
"cell dimensions are adjusted accordingly without changing the shape of "
"the cell"},
{"walls", '\0', POPT_ARG_INT | POPT_ARGFLAG_SHOW_DEFAULT, &sw.walls, 0,
"Number of walled dimensions (dimension order: x,y,z)", "INT"},
{"initialize", '\0', POPT_ARG_LONG | POPT_ARGFLAG_SHOW_DEFAULT,
&initialization_iterations, 0,
"Number of iterations to run for initialization", "INT"},
{"iterations", '\0', POPT_ARG_LONG | POPT_ARGFLAG_SHOW_DEFAULT, &iterations,
0, "Number of iterations to run for", "INT"},
{"de_g", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT, &de_g, 0,
"Resolution of distribution functions", "DOUBLE"},
{"dr", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT, &sw.dr, 0,
"Differential radius change used in pressure calculation", "DOUBLE"},
{"de_density", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&de_density, 0, "Resolution of density file", "DOUBLE"},
{"max_rdf_radius", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&max_rdf_radius, 0, "Set maximum radius for RDF data collection", "DOUBLE"},
{"lenx", '\0', POPT_ARG_DOUBLE, &sw.len[x], 0,
"Relative cell size in x dimension", "DOUBLE"},
{"leny", '\0', POPT_ARG_DOUBLE, &sw.len[y], 0,
"Relative cell size in y dimension", "DOUBLE"},
{"lenz", '\0', POPT_ARG_DOUBLE, &sw.len[z], 0,
"Relative cell size in z dimension", "DOUBLE"},
{"filename", '\0', POPT_ARG_STRING | POPT_ARGFLAG_SHOW_DEFAULT, &filename, 0,
"Base of output file names", "STRING"},
{"dir", '\0', POPT_ARG_STRING | POPT_ARGFLAG_SHOW_DEFAULT, &dir, 0,
"Save directory", "dir"},
{"neighbor_scale", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&neighbor_scale, 0, "Ratio of neighbor sphere radius to interaction scale "
"times ball radius. Drastically reduces collision detections","DOUBLE"},
{"translation_scale", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&translation_scale, 0, "Standard deviation for translations of balls, "
"relative to ball radius", "DOUBLE"},
{"seed", '\0', POPT_ARG_INT | POPT_ARGFLAG_SHOW_DEFAULT, &seed, 0,
"Seed for the random number generator", "INT"},
{"acceptance_goal", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&acceptance_goal, 0, "Goal to set the acceptance rate", "DOUBLE"},
{"nw", '\0', POPT_ARG_NONE, &no_weights, 0, "Don't use weighing method "
"to get better statistics on low entropy states", "BOOLEAN"},
{"kT", '\0', POPT_ARG_DOUBLE, &fix_kT, 0, "Use a fixed temperature of kT"
" rather than adjusted weights", "DOUBLE"},
{"flat", '\0', POPT_ARG_NONE, &flat_histogram, 0,
"Use a flat histogram method", "BOOLEAN"},
{"gaussian", '\0', POPT_ARG_NONE, &gaussian_fit, 0,
"Use gaussian weights for flat histogram", "BOOLEAN"},
{"walkers", '\0', POPT_ARG_NONE, &walker_weights, 0,
"Use a walker optimization weight histogram method", "BOOLEAN"},
{"wang_landau", '\0', POPT_ARG_NONE, &wang_landau, 0,
"Use Wang-Landau histogram method", "BOOLEAN"},
{"wl_factor", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT, &wl_factor,
0, "Initial value of Wang-Landau factor", "DOUBLE"},
{"wl_fmod", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT, &wl_fmod, 0,
"Wang-Landau factor modifiction parameter", "DOUBLE"},
{"wl_threshold", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&wl_threshold, 0, "Threhold for normalized standard deviation in "
"energy histogram at which to adjust Wang-Landau factor", "DOUBLE"},
{"wl_cutoff", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&wl_cutoff, 0, "Cutoff for Wang-Landau factor", "DOUBLE"},
{"time", '\0', POPT_ARG_INT, &totime, 0,
"Timing of display information (seconds)", "INT"},
{"R", '\0', POPT_ARG_DOUBLE | POPT_ARGFLAG_SHOW_DEFAULT,
&R, 0, "Ball radius (for testing purposes; should always be 1)", "DOUBLE"},
{"test_weights", '\0', POPT_ARG_NONE, &test_weights, 0,
"Periodically print weight histogram during initialization", "BOOLEAN"},
{"debug", '\0', POPT_ARG_NONE, &debug, 0, "Debug mode", "BOOLEAN"},
POPT_AUTOHELP
POPT_TABLEEND
};
optCon = poptGetContext(NULL, argc, argv, optionsTable, 0);
poptSetOtherOptionHelp(optCon, "[OPTION...]\nNumber of balls and filling "
"fraction or cell dimensions are required arguments.");
int c = 0;
// go through arguments, set them based on optionsTable
while((c = poptGetNextOpt(optCon)) >= 0);
if (c < -1) {
fprintf(stderr, "\n%s: %s\n", poptBadOption(optCon, 0), poptStrerror(c));
return 1;
}
poptFreeContext(optCon);
// ----------------------------------------------------------------------------
// Verify we have reasonable arguments and set secondary parameters
// ----------------------------------------------------------------------------
// check that only one method is used
if(bool(no_weights) + bool(flat_histogram) + bool(gaussian_fit)
+ bool(wang_landau) + bool(walker_weights) + (fix_kT != 0) != 1){
printf("Exactly one histigram method must be selected!");
return 254;
}
if(sw.walls >= 2){
printf("Code cannot currently handle walls in more than one dimension.\n");
return 254;
}
if(sw.walls > 3){
printf("You cannot have walls in more than three dimensions.\n");
return 254;
}
if(well_width < 1){
printf("Interaction scale should be greater than (or equal to) 1.\n");
return 254;
}
// Adjust cell dimensions for desired filling fraction
const double fac = R*pow(4.0/3.0*M_PI*sw.N/(ff*sw.len[x]*sw.len[y]*sw.len[z]), 1.0/3.0);
for(int i = 0; i < 3; i++) sw.len[i] *= fac;
printf("\nSetting cell dimensions to (%g, %g, %g).\n",
sw.len[x], sw.len[y], sw.len[z]);
if (sw.N <= 0 || initialization_iterations < 0 || iterations < 0 || R <= 0 ||
neighbor_scale <= 0 || sw.dr <= 0 || translation_scale < 0 ||
sw.len[x] < 0 || sw.len[y] < 0 || sw.len[z] < 0) {
fprintf(stderr, "\nAll parameters must be positive.\n");
return 1;
}
sw.dr *= R;
const double eta = (double)sw.N*4.0/3.0*M_PI*R*R*R/(sw.len[x]*sw.len[y]*sw.len[z]);
if (eta > 1) {
fprintf(stderr, "\nYou're trying to cram too many balls into the cell. "
"They will never fit. Filling fraction: %g\n", eta);
return 7;
}
// If a filename was not selected, make a default
if (strcmp(filename, "default_filename") == 0) {
char *name_suffix = new char[10];
char *wall_tag = new char[10];
if(sw.walls == 0) sprintf(wall_tag,"periodic");
else if(sw.walls == 1) sprintf(wall_tag,"wall");
else if(sw.walls == 2) sprintf(wall_tag,"tube");
else if(sw.walls == 3) sprintf(wall_tag,"box");
if (fix_kT) {
sprintf(name_suffix, "-kT%g", fix_kT);
} else if (no_weights) {
sprintf(name_suffix, "-nw");
} else if (flat_histogram) {
sprintf(name_suffix, "-flat");
} else if (gaussian_fit) {
sprintf(name_suffix, "-gaussian");
} else if (wang_landau) {
sprintf(name_suffix, "-wang_landau");
} else if (walker_weights) {
sprintf(name_suffix, "-walkers");
} else {
name_suffix[0] = 0; // set name_suffix to the empty string
}
sprintf(filename, "%s-ww%04.2f-ff%04.2f-N%i%s",
wall_tag, well_width, eta, sw.N, name_suffix);
printf("\nUsing default file name: ");
delete[] name_suffix;
delete[] wall_tag;
}
else
printf("\nUsing given file name: ");
printf("%s\n",filename);
printf("------------------------------------------------------------------\n");
printf("Running %s with parameters:\n", argv[0]);
for(int i = 1; i < argc; i++) {
if(argv[i][0] == '-') printf("\n");
printf("%s ", argv[i]);
}
printf("\n");
if (totime > 0) printf("Timing information will be displayed.\n");
if (debug) printf("DEBUG MODE IS ENABLED!\n");
else printf("Debug mode disabled\n");
printf("------------------------------------------------------------------\n\n");
// ----------------------------------------------------------------------------
// Define sw_simulation variables
// ----------------------------------------------------------------------------
sw.iteration = 0; // start at zeroeth iteration
sw.state_of_max_interactions = 0;
sw.state_of_max_entropy = 0;
// translation distance should scale with ball radius
sw.translation_distance = translation_scale*R;
// neighbor radius should scale with radius and interaction scale
sw.neighbor_R = neighbor_scale*R*well_width;
// Find the upper limit to the maximum number of neighbors a ball could have
sw.max_neighbors = max_balls_within(2+neighbor_scale*well_width);
// Energy histogram
sw.interaction_distance = 2*R*well_width;
sw.energy_levels = sw.N/2*max_balls_within(sw.interaction_distance);
sw.energy_histogram = new long[sw.energy_levels]();
// Walkers
sw.current_walker_plus = false;
sw.walker_plus_threshold = 0;
sw.walker_minus_threshold = 0;
sw.walkers_plus = new long[sw.energy_levels]();
sw.walkers_total = new long[sw.energy_levels]();
// Energy weights, state density
int weight_updates = 0;
sw.ln_energy_weights = new double[sw.energy_levels]();
// Radial distribution function (RDF) histogram
long *g_energy_histogram = new long[sw.energy_levels]();
const int g_bins = round(min(min(min(sw.len[y],sw.len[z]),sw.len[x]),max_rdf_radius)
/ de_g / 2);
long **g_histogram = new long*[sw.energy_levels];
for(int i = 0; i < sw.energy_levels; i++)
g_histogram[i] = new long[g_bins]();
// Density histogram
const int density_bins = round(sw.len[wall_dim]/de_density);
const double bin_volume = sw.len[x]*sw.len[y]*sw.len[z]/sw.len[wall_dim]*de_density;
long **density_histogram = new long*[sw.energy_levels];
for(int i = 0; i < sw.energy_levels; i++)
density_histogram[i] = new long[density_bins]();
printf("memory use estimate = %.2g G\n\n",
8*double((6 + g_bins + density_bins)*sw.energy_levels)/1024/1024/1024);
sw.balls = new ball[sw.N];
if(totime < 0) totime = 10*sw.N;
// a guess for the number of iterations to run for initializing the histogram
int first_weight_update = sw.energy_levels;
// Initialize the random number generator with our seed
random::seed(seed);
// ----------------------------------------------------------------------------
// Set up the initial grid of balls
// ----------------------------------------------------------------------------
for(int i = 0; i < sw.N; i++) // initialize ball radii
sw.balls[i].R = R;
// Balls will be initially placed on a face centered cubic (fcc) grid
// Note that the unit cells need not be actually "cubic", but the fcc grid will
// be stretched to cell dimensions
const int spots_per_cell = 4; // spots in each fcc periodic unit cell
const int cells_floor = ceil(sw.N/spots_per_cell); // minimum number of cells
int cells[3]; // array to contain number of cells in x, y, and z dimensions
for(int i = 0; i < 3; i++){
cells[i] = ceil(pow(cells_floor*sw.len[i]*sw.len[i]
/(sw.len[(i+1)%3]*sw.len[(i+2)%3]),1.0/3.0));
}
// It is usefull to know our cell dimensions
double cell_width[3];
for(int i = 0; i < 3; i++) cell_width[i] = sw.len[i]/cells[i];
// Increase number of cells until all balls can be accomodated
int total_spots = spots_per_cell*cells[x]*cells[y]*cells[z];
int i = 0;
while(total_spots < sw.N) {
if(cell_width[i%3] <= cell_width[(i+1)%3] &&
cell_width[(i+1)%3] <= cell_width[(i+2)%3]) {
cells[i%3] += 1;
cell_width[i%3] = sw.len[i%3]/cells[i%3];
total_spots += spots_per_cell*cells[(i+1)%3]*cells[(i+2)%3];
}
i++;
}
// Define ball positions relative to cell position
vector3d* offset = new vector3d[4]();
offset[x] = vector3d(0,cell_width[y],cell_width[z])/2;
offset[y] = vector3d(cell_width[x],0,cell_width[z])/2;
offset[z] = vector3d(cell_width[x],cell_width[y],0)/2;
// Reserve some spots at random to be vacant
bool *spot_reserved = new bool[total_spots]();
int p; // Index of reserved spot
for(int i = 0; i < total_spots-sw.N; i++) {
p = floor(random::ran()*total_spots); // Pick a random spot index
if(spot_reserved[p] == false) // If it's not already reserved, reserve it
spot_reserved[p] = true;
else // Otherwise redo this index (look for a new spot)
i--;
}
// Place all balls in remaining spots
int b = 0;
vector3d cell_pos;
for(int i = 0; i < cells[x]; i++) {
for(int j = 0; j < cells[y]; j++) {
for(int k = 0; k < cells[z]; k++) {
for(int l = 0; l < 4; l++) {
if(!spot_reserved[i*(4*cells[z]*cells[y])+j*(4*cells[z])+k*4+l]) {
sw.balls[b].pos = vector3d(i*cell_width[x],j*cell_width[y],
k*cell_width[z]) + offset[l];
b++;
}
}
}
}
}
delete[] offset;
delete[] spot_reserved;
took("Placement");
// ----------------------------------------------------------------------------
// Print info about the initial configuration for troubleshooting
// ----------------------------------------------------------------------------
{
int most_neighbors =
initialize_neighbor_tables(sw.balls, sw.N, sw.neighbor_R + 2*sw.dr, sw.max_neighbors, sw.len,
sw.walls);
if (most_neighbors < 0) {
fprintf(stderr, "The guess of %i max neighbors was too low. Exiting.\n",
sw.max_neighbors);
return 1;
}
printf("Neighbor tables initialized.\n");
printf("The most neighbors is %i, whereas the max allowed is %i.\n",
most_neighbors, sw.max_neighbors);
}
// ----------------------------------------------------------------------------
// Make sure initial placement is valid
// ----------------------------------------------------------------------------
bool error = false, error_cell = false;
for(int i = 0; i < sw.N; i++) {
if (!in_cell(sw.balls[i], sw.len, sw.walls, sw.dr)) {
error_cell = true;
error = true;
}
for(int j = 0; j < i; j++) {
if (overlap(sw.balls[i], sw.balls[j], sw.len, sw.walls)) {
error = true;
break;
}
}
if (error) break;
}
if (error){
print_bad(sw.balls, sw.N, sw.len, sw.walls);
printf("Error in initial placement: ");
if(error_cell) printf("balls placed outside of cell.\n");
else printf("balls are overlapping.\n");
return 253;
}
fflush(stdout);
// ----------------------------------------------------------------------------
// Initialization of cell
// ----------------------------------------------------------------------------
double avg_neighbors = 0;
sw.interactions =
count_all_interactions(sw.balls, sw.N, sw.interaction_distance, sw.len, sw.walls);
// First, let us figure out what the max entropy point is.
sw.initialize_max_entropy_and_translation_distance();
if (gaussian_fit) {
sw.initialize_gaussian(10);
} else if (flat_histogram) {
{
sw.initialize_gaussian(log(1e40));
const int state_of_max_entropy = sw.state_of_max_entropy;
sw.initialize_max_entropy_and_translation_distance();
sw.state_of_max_entropy = state_of_max_entropy;
}
const double scale = log(10);
double width;
double range;
do {
width = sw.initialize_gaussian(scale);
range = sw.state_of_max_interactions - sw.state_of_max_entropy;
// Now shift to the max entropy state...
const int state_of_max_entropy = sw.state_of_max_entropy;
sw.initialize_max_entropy_and_translation_distance();
sw.state_of_max_entropy = state_of_max_entropy;
printf("***\n");
printf("*** Gaussian has width %.1f compared to range %.0f (ratio %.2f)\n",
width, range, width/range);
printf("***\n");
} while (width < 0.25*range);
} else if (fix_kT) {
sw.initialize_canonical(fix_kT);
} else if (wang_landau) {
sw.initialize_wang_landau(wl_factor, wl_threshold, wl_cutoff);
} else {
for(long iteration = 1;
iteration <= initialization_iterations + first_weight_update; iteration++) {
// ---------------------------------------------------------------
// Move each ball once
// ---------------------------------------------------------------
for(int i = 0; i < sw.N; i++) {
move_one_ball(i, sw.balls, sw.N, sw.len, sw.walls, sw.neighbor_R, sw.translation_distance,
sw.interaction_distance, sw.max_neighbors, sw.dr, &sw.moves,
sw.interactions, sw.ln_energy_weights);
sw.interactions += sw.moves.new_count - sw.moves.old_count;
sw.energy_histogram[sw.interactions]++;
if(walker_weights){
sw.walkers_total[sw.interactions]++;
if(sw.interactions >= sw.walker_minus_threshold)
sw.current_walker_plus = false;
else if(sw.interactions <= sw.walker_plus_threshold)
sw.current_walker_plus = true;
if(sw.current_walker_plus)
sw.walkers_plus[sw.interactions]++;
}
}
assert(sw.interactions ==
count_all_interactions(sw.balls, sw.N, sw.interaction_distance, sw.len, sw.walls));
// ---------------------------------------------------------------
// Update weights
// ---------------------------------------------------------------
if(!(no_weights || gaussian_fit)){
if(iteration == first_weight_update){
flat_hist(sw.energy_histogram, sw.ln_energy_weights, sw.energy_levels);
weight_updates++;
} else if((flat_histogram || walker_weights)
&& (iteration > first_weight_update)
&& ((iteration-first_weight_update)
% int(first_weight_update*uipow(2,weight_updates)) == 0)){
printf("Weight update: %d.\n", int(uipow(2,weight_updates)));
if (flat_histogram)
flat_hist(sw.energy_histogram, sw.ln_energy_weights, sw.energy_levels);
else if(walker_weights){
walker_hist(sw.energy_histogram, sw.ln_energy_weights, sw.energy_levels,
sw.walkers_plus, sw.walkers_total, &sw.moves);
}
weight_updates++;
if(test_weights) print_weights = true;
}
// for testing purposes; prints energy histogram and weight array
if(print_weights){
char *headerinfo = new char[4096];
sprintf(headerinfo,
"# cell dimensions: (%5.2f, %5.2f, %5.2f), walls: %i,"
" de_density: %g, de_g: %g\n# seed: %li, N: %i, R: %f,"
" well_width: %g, translation_distance: %g\n"
"# initialization_iterations: %li, neighbor_scale: %g, dr: %g,"
" energy_levels: %i\n",
sw.len[0], sw.len[1], sw.len[2], sw.walls, de_density, de_g, seed, sw.N, R,
well_width, sw.translation_distance, initialization_iterations,
neighbor_scale, sw.dr, sw.energy_levels);
char *countinfo = new char[4096];
sprintf(countinfo,
"# iteration: %li, working moves: %li, total moves: %li, "
"acceptance rate: %g\n",
iteration, sw.moves.working, sw.moves.total,
double(sw.moves.working)/sw.moves.total);
const char *testdir = "test";
char *w_fname = new char[1024];
char *e_fname = new char[1024];
mkdir(dir, 0777); // create save directory
sprintf(w_fname, "%s/%s", dir, testdir);
mkdir(w_fname, 0777); // create test directory
sprintf(w_fname, "%s/%s/%s-w%02i.dat",
dir, testdir, filename, weight_updates);
sprintf(e_fname, "%s/%s/%s-E%02i.dat",
dir, testdir, filename, weight_updates);
FILE *w_out = fopen(w_fname, "w");
if (!w_out) {
fprintf(stderr, "Unable to create %s!\n", w_fname);
exit(1);
}
fprintf(w_out, "%s", headerinfo);
fprintf(w_out, "%s", countinfo);
fprintf(w_out, "\n# interactions value\n");
for(int i = 0; i < sw.energy_levels; i++)
fprintf(w_out, "%i %f\n", i, sw.ln_energy_weights[i]);
fclose(w_out);
FILE *e_out = fopen((const char *)e_fname, "w");
fprintf(e_out, "%s", headerinfo);
fprintf(e_out, "%s", countinfo);
fprintf(e_out, "\n# interactions counts\n");
for(int i = 0; i < sw.energy_levels; i++)
fprintf(e_out, "%i %ld\n",i,sw.energy_histogram[i]);
fclose(e_out);
delete[] headerinfo;
delete[] countinfo;
delete[] w_fname;
delete[] e_fname;
print_weights = false;
}
}
// ---------------------------------------------------------------
// Print out timing information if desired
// ---------------------------------------------------------------
if (totime > 0 && iteration % totime == 0) {
char *iter = new char[1024];
sprintf(iter, "%i iterations", totime);
took(iter);
delete[] iter;
printf("Iteration %li, acceptance rate of %g, translation_distance: %g.\n",
iteration, (double)sw.moves.working/sw.moves.total,
sw.translation_distance);
printf("We've had %g updates per kilomove and %g informs per kilomoves, "
"for %g informs per update.\n",
1000.0*sw.moves.updates/sw.moves.total,
1000.0*sw.moves.informs/sw.moves.total,
(double)sw.moves.informs/sw.moves.updates);
const long checks_without_tables = sw.moves.total*sw.N;
int total_neighbors = 0;
int most_neighbors = 0;
for(int i = 0; i < sw.N; i++) {
total_neighbors += sw.balls[i].num_neighbors;
most_neighbors = max(sw.balls[i].num_neighbors, most_neighbors);
}
avg_neighbors = double(total_neighbors)/sw.N;
const long checks_with_tables = sw.moves.total*avg_neighbors
+ sw.N*sw.moves.updates;
printf("We've done about %.3g%% of the distance calculations we would "
"have done without tables.\n",
100.0*checks_with_tables/checks_without_tables);
printf("The max number of neighbors is %i, whereas the most we have is "
"%i.\n", sw.max_neighbors, most_neighbors);
printf("Neighbor scale is %g and avg. number of neighbors is %g.\n\n",
neighbor_scale, avg_neighbors);
fflush(stdout);
}
}
}
{
// Now let's iterate to the point where we are at maximum
// probability before we do teh real simulation.
const double st = sw.state_of_max_entropy;
sw.initialize_max_entropy_and_translation_distance();
sw.state_of_max_entropy = st;
}
took("Initialization");
// ----------------------------------------------------------------------------
// Generate info to put in save files
// ----------------------------------------------------------------------------
mkdir(dir, 0777); // create save directory
char *headerinfo = new char[4096];
sprintf(headerinfo,
"# cell dimensions: (%5.2f, %5.2f, %5.2f), walls: %i,"
" de_density: %g, de_g: %g\n# seed: %li, N: %i, R: %f,"
" well_width: %g, translation_distance: %g\n"
"# initialization_iterations: %li, neighbor_scale: %g, dr: %g,"
" energy_levels: %i\n",
sw.len[0], sw.len[1], sw.len[2], sw.walls, de_density, de_g, seed, sw.N, R,
well_width, sw.translation_distance, initialization_iterations,
neighbor_scale, sw.dr, sw.energy_levels);
char *e_fname = new char[1024];
sprintf(e_fname, "%s/%s-E.dat", dir, filename);
char *w_fname = new char[1024];
sprintf(w_fname, "%s/%s-lnw.dat", dir, filename);
char *density_fname = new char[1024];
sprintf(density_fname, "%s/%s-density-%i.dat", dir, filename, sw.N);
char *g_fname = new char[1024];
sprintf(g_fname, "%s/%s-g.dat", dir, filename);
// ----------------------------------------------------------------------------
// MAIN PROGRAM LOOP
// ----------------------------------------------------------------------------
clock_t output_period = CLOCKS_PER_SEC; // start at outputting every minute
// top out at one hour interval
clock_t max_output_period = clock_t(CLOCKS_PER_SEC)*60*30;
clock_t last_output = clock(); // when we last output data
sw.moves.total = 0;
sw.moves.working = 0;
// Reset energy histogram
for(int i = 0; i < sw.energy_levels; i++)
sw.energy_histogram[i] = 0;
for(long iteration = 1; iteration <= iterations; iteration++) {
// ---------------------------------------------------------------
// Move each ball once, add to energy histogram
// ---------------------------------------------------------------
for(int i = 0; i < sw.N; i++) {
move_one_ball(i, sw.balls, sw.N, sw.len, sw.walls, sw.neighbor_R, sw.translation_distance,
sw.interaction_distance, sw.max_neighbors, sw.dr, &sw.moves,
sw.interactions, sw.ln_energy_weights);
sw.interactions += sw.moves.new_count - sw.moves.old_count;
sw.energy_histogram[sw.interactions]++;
}
assert(sw.interactions ==
count_all_interactions(sw.balls, sw.N, sw.interaction_distance, sw.len, sw.walls));
// ---------------------------------------------------------------
// Add data to density and RDF histograms
// ---------------------------------------------------------------
// Density histogram
if(sw.walls){
for(int i = 0; i < sw.N; i++){
density_histogram[sw.interactions]
[int(floor(sw.balls[i].pos[wall_dim]/de_density))] ++;
}
}
// RDF
if(!sw.walls){
g_energy_histogram[sw.interactions]++;
for(int i = 0; i < sw.N; i++){
for(int j = 0; j < sw.N; j++){
if(i != j){
const vector3d r = periodic_diff(sw.balls[i].pos, sw.balls[j].pos, sw.len,
sw.walls);
const int r_i = floor(r.norm()/de_g);
if(r_i < g_bins) g_histogram[sw.interactions][r_i]++;
}
}
}
}
// ---------------------------------------------------------------
// Save to file
// ---------------------------------------------------------------
const clock_t now = clock();
if ((now - last_output > output_period) || iteration == iterations) {
last_output = now;
assert(last_output);
if (output_period < max_output_period/2) output_period *= 2;
else if (output_period < max_output_period)
output_period = max_output_period;
const double secs_done = double(now)/CLOCKS_PER_SEC;
const int seconds = int(secs_done) % 60;
const int minutes = int(secs_done / 60) % 60;
const int hours = int(secs_done / 3600) % 24;
const int days = int(secs_done / 86400);
printf("Saving data after %i days, %02i:%02i:%02i, %li iterations "
"complete.\n", days, hours, minutes, seconds, iteration);
fflush(stdout);
char *countinfo = new char[4096];
sprintf(countinfo,
"# iteration: %li, working moves: %li, total moves: %li, "
"acceptance rate: %g\n",
iteration, sw.moves.working, sw.moves.total,
double(sw.moves.working)/sw.moves.total);
// Save energy histogram
FILE *e_out = fopen((const char *)e_fname, "w");
fprintf(e_out, "%s", headerinfo);
fprintf(e_out, "%s", countinfo);
fprintf(e_out, "\n# interactions counts\n");
for(int i = 0; i < sw.energy_levels; i++)
if(sw.energy_histogram[i] != 0)
fprintf(e_out, "%i %ld\n",i,sw.energy_histogram[i]);
fclose(e_out);
// Save weights histogram
FILE *w_out = fopen((const char *)w_fname, "w");
fprintf(w_out, "%s", headerinfo);
fprintf(w_out, "%s", countinfo);
fprintf(w_out, "\n# interactions ln(weight)\n");
for(int i = 0; i < sw.energy_levels; i++)
if(sw.energy_histogram[i] != 0){
fprintf(w_out, "%i %g\n",i,sw.ln_energy_weights[i]);
}
fclose(w_out);
// Save RDF
if(!sw.walls){
FILE *g_out = fopen((const char *)g_fname, "w");
fprintf(g_out, "%s", headerinfo);
fprintf(g_out, "%s", countinfo);
fprintf(g_out, "\n# data table containing values of g");
fprintf(g_out, "\n# first column reserved for specifying energy level");
fprintf(g_out, "\n# column number rn (starting from the second column, "
"counting from zero) corresponds to radius r given by "
"r = (rn + 0.5) * de_g");
const double density = sw.N/sw.len[x]/sw.len[y]/sw.len[z];
const double total_vol = sw.len[x]*sw.len[y]*sw.len[z];
for(int i = 0; i < sw.energy_levels; i++){
if(g_histogram[i][g_bins-1] > 0){ // if we have RDF data at this energy
fprintf(g_out, "\n%i",i);
for(int r_i = 0; r_i < g_bins; r_i++) {
const double probability = (double)g_histogram[i][r_i]
/ g_energy_histogram[i];
const double r = (r_i + 0.5) * de_g;
const double shell_vol =
4.0/3.0*M_PI*(uipow(r+de_g/2, 3) - uipow(r-de_g/2, 3));
const double n2 = probability/total_vol/shell_vol;
const double g = n2/sqr(density);
fprintf(g_out, " %8.5f", g);
}
}
}
fclose(g_out);
}
// Saving density data
if(sw.walls){
FILE *densityout = fopen((const char *)density_fname, "w");
fprintf(densityout, "%s", headerinfo);
fprintf(densityout, "%s", countinfo);
fprintf(densityout, "\n# data table containing densities in slabs "
"(bins) of thickness de_density away from a wall");
fprintf(densityout, "\n# row number corresponds to energy level");
fprintf(densityout, "\n# column number dn (counting from zero) "
"corresponds to distance d from wall given by "
"d = (dn + 0.5) * de_density");
for(int i = 0; i < sw.energy_levels; i++){
fprintf(densityout, "\n");
for(int r_i = 0; r_i < density_bins; r_i++) {
const double bin_density =
(double)density_histogram[i][r_i]
*sw.N/sw.energy_histogram[i]/bin_volume;
fprintf(densityout, "%8.5f ", bin_density);
}
}
fclose(densityout);
}
delete[] countinfo;
}
}
// ----------------------------------------------------------------------------
// END OF MAIN PROGRAM LOOP
// ----------------------------------------------------------------------------
delete[] sw.balls;
delete[] sw.ln_energy_weights;
delete[] sw.energy_histogram;
delete[] g_histogram;
delete[] density_histogram;
delete[] headerinfo;
return 0;
}