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RMC working in main branch 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6238 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Raymond Clay 2014-02-19 00:27:28 +00:00
parent 0100a05167
commit 153904b661
1 changed files with 15 additions and 1 deletions
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16
src/QMCDrivers/RMC/RMCSingleOMP.cpp
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@ -49,8 +49,10 @@ bool RMCSingleOMP::run()
resetRun();
//start the main estimator
Estimators->start(nBlocks);
for (int ip=0; ip<NumThreads; ++ip)
Movers[ip]->startRun(nBlocks,false);
Traces->startRun(nBlocks,traceClones);
const bool has_collectables=W.Collectables.size();
for (int block=0; block<nBlocks; ++block)
{
@ -148,6 +150,7 @@ void RMCSingleOMP::resetRun()
Movers.resize(NumThreads,0);
branchClones.resize(NumThreads,0);
estimatorClones.resize(NumThreads,0);
traceClones.resize(NumThreads,0);
Rng.resize(NumThreads,0);
// W.loadEnsemble(wClones);
branchEngine->initReptile(W);
@ -161,6 +164,7 @@ void RMCSingleOMP::resetRun()
estimatorClones[ip]->resetTargetParticleSet(*wClones[ip]);
estimatorClones[ip]->setCollectionMode(false);
Rng[ip]=new RandomGenerator_t(*(RandomNumberControl::Children[ip]));
traceClones[ip] = Traces->makeClone();
hClones[ip]->setRandomGenerator(Rng[ip]);
branchClones[ip] = new BranchEngineType(*branchEngine);
// branchClones[ip]->initReptile(W);
@ -180,6 +184,16 @@ void RMCSingleOMP::resetRun()
app_log() << os.str() << endl;
}
}
else
{
#if !defined(BGP_BUG)
#pragma omp parallel for
#endif
for(int ip=0; ip<NumThreads; ++ip)
{
traceClones[ip]->transfer_state_from(*Traces);
}
}
app_log().flush();
#if !defined(BGP_BUG)
#pragma omp parallel for
@ -187,7 +201,7 @@ void RMCSingleOMP::resetRun()
for(int ip=0; ip<NumThreads; ++ip)
{
Movers[ip]->put(qmcNode);
Movers[ip]->resetRun(branchClones[ip],estimatorClones[ip]);
Movers[ip]->resetRun(branchClones[ip],estimatorClones[ip], traceClones[ip]);
wClones[ip]->reptile = new Reptile(*wClones[ip], W.begin()+wPerNode[ip],W.begin()+wPerNode[ip+1]);
//app_log()<<"Thread # "<<ip<<endl;
// printf(" Thread# %d WalkerList.size()=%d \n",ip,wClones[ip]->WalkerList.size());