Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Modify DMC branch cutoff and population control #242

Merged
merged 11 commits into from
Jun 5, 2017
Merged

Modify DMC branch cutoff and population control #242

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
11 commits
Select commit Hold shift + click to select a range
3c9a474
Replace SIGMA with SIGMA2 in the branch cutoff.
ye-luo Jan 28, 2017
1699144
Change the histogram initial value after warmup.
ye-luo Jan 28, 2017
9e0b980
Adjust pop control term in E_trial for warmup.
ye-luo Jan 28, 2017
956a07e
Set min max walker in one place.
ye-luo Jan 28, 2017
8e8d091
Fuse branch cutoff definition.
ye-luo Jan 29, 2017
e34c6c6
Update branch cutoff at every resetRun.
ye-luo Jan 29, 2017
e4a286d
Merge branch 'develop' into branch-cutoff-try
ye-luo May 31, 2017
4c15454
Adjust branch cutoff definition.
ye-luo Jun 2, 2017
5f23f97
Update size-consistent branch cutoff scheme.
ye-luo Jun 2, 2017
def3178
Add a switch to select branching cutoff scheme.
ye-luo Jun 2, 2017
b5f5894
Add eq ref to branch cutoff schemes.
ye-luo Jun 5, 2017
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
103 changes: 2 additions & 101 deletions src/QMCDrivers/DMC/WalkerControlFactory.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,6 @@ WalkerControlBase* createWalkerController(int nwtot, Communicate* comm, xmlNodeP
app_log() << " Creating WalkerController: target number of walkers = " << nwtot << std::endl;
///set of parameters
int nmax=0;
int nmin=0;
std::string reconfigopt("no");
ParameterSet m_param;
m_param.add(nwtot,"targetWalkers","int");
Expand All @@ -50,14 +49,6 @@ WalkerControlBase* createWalkerController(int nwtot, Communicate* comm, xmlNodeP
{
int nwloc=std::max(omp_get_max_threads(),nwtot/ncontexts);
nwtot=nwloc*ncontexts;
nmax=nwtot/ncontexts;
nmin=nwtot/ncontexts;
}
else
{
int npernode=nwtot/ncontexts;
nmin=npernode/5+1;
if (nmax==0) nmax=2*npernode+1;
}
#if defined(HAVE_MPI)
if(ncontexts>1)
Expand Down Expand Up @@ -87,101 +78,11 @@ WalkerControlBase* createWalkerController(int nwtot, Communicate* comm, xmlNodeP
wc = new WalkerControlBase(comm);
}
}
wc->Nmin=nmin;
wc->Nmax=nmax;
wc->MyMethod=fixw;
wc->setMinMax(nwtot,nmax);
return wc;
}

WalkerControlBase* CreateWalkerController(
bool reconfig, int& swapmode, int nideal,
int nmax, int nmin, WalkerControlBase* wc,
Communicate* comm)
{
int ncontexts = comm->size();
//overwrite the SwapMode for a single-node run
if(ncontexts == 1)
{
swapmode=0;
}
if(reconfig)
{
nmax=nideal/ncontexts;
nmin=nideal/ncontexts;
}
else
{
if(swapmode)
{
if (nmax==0)
{
int npernode=nideal/ncontexts;
nmax=2*npernode+1;
nmin=npernode/5+1;
}
else
{
int nmaxpernode = nmax/ncontexts;
int npernode=nideal/ncontexts;
nmax=nmaxpernode;
nmin=npernode/5+1;
}
}
else
{
if (nmax==0)
{
nmax=2*nideal;
nmin=nideal/2;
}
else
{
nmin=nideal/2;
}
}
}
if(wc)
{
if(swapmode != wc->SwapMode)
{
delete wc;
wc=0;
}
}
if(wc == 0)
{
#if defined(HAVE_MPI)
if(swapmode)
{
if(reconfig)
{
app_log() << " Using WalkerReconfigurationMPI for population control." << std::endl;
wc = new WalkerReconfigurationMPI(comm);
}
else
{
app_log() << " Using WalkerControlMPI for dynamic population control." << std::endl;
wc = new WalkerControlMPI(comm);
}
}
else
#endif
{
if(reconfig)
{
app_log() << " Using WalkerReconfiguration for population control." << std::endl;
wc = new WalkerReconfiguration(comm);
}
else
{
app_log() << " Using WalkerControlBase for dynamic population control." << std::endl;
wc = new WalkerControlBase(comm);
}
}
}
wc->Nmin=nmin;
wc->Nmax=nmax;
return wc;
}

}

16 changes: 0 additions & 16 deletions src/QMCDrivers/DMC/WalkerControlFactory.h
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -22,22 +22,6 @@ namespace qmcplusplus
{

/** function to create WalkerControlBase or its derived class
* @param swapmode in/out indicator to determine which controller will be created
* @param nideal ideal number of walkers
* @param nmax maximum number of walkers
* @param nmin minimum number of walkers
* @param wc pointer to current WalkerControlBase object
* @return WalkerControlBase*
*
* When wc is the same as the requested controller object, only reset the
* internal values and return wc itself.
*/
WalkerControlBase* CreateWalkerController(bool reconfig,
int& swapmode, int nideal, int nmax, int nmin,
WalkerControlBase* wc,
Communicate* comm);

/** function to create WalkerControlBase
* @param current number of walkers
*/
WalkerControlBase* createWalkerController(int nwtot,
Expand Down
Loading