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Global edit on HMC sector -- making GaugeField a template parameter and

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preparing to pass integrator, smearing, bc's as policy classes to hmc.

Propose to unify "integrator" and integrator algorithm in a base/derived
way to override step. Want to read through ForceGradient to ensure
that abstraction covers the force gradient case.
This commit is contained in:
Peter Boyle
2015-08-30 12:18:34 +01:00
parent 76d752585b
commit aa52fdadcc
21 changed files with 379 additions and 321 deletions
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46
lib/qcd/hmc/HMC.h
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@@ -15,6 +15,7 @@
namespace Grid{
namespace QCD{
struct HMCparameters{
Integer Nsweeps; /* @brief Number of sweeps in this run */
Integer TotalSweeps; /* @brief If provided, the total number of sweeps */
@@ -26,14 +27,17 @@ namespace Grid{
HMCparameters();
};
template <class Algorithm>
class HybridMonteCarlo{
// template <class GaugeField, class Integrator, class Smearer, class Boundary>
template <class GaugeField, class Algorithm>
class HybridMonteCarlo {
private:
const HMCparameters Params;
GridSerialRNG sRNG; // Fixme: need a RNG management strategy.
Integrator<Algorithm>& MD;
GridSerialRNG &sRNG; // Fixme: need a RNG management strategy.
GridParallelRNG &pRNG; // Fixme: need a RNG management strategy.
typedef Integrator<GaugeField,Algorithm> IntegratorType;
IntegratorType &TheIntegrator;
/////////////////////////////////////////////////////////
// Metropolis step
@@ -63,16 +67,20 @@ namespace Grid{
/////////////////////////////////////////////////////////
// Evolution
/////////////////////////////////////////////////////////
RealD evolve_step(LatticeGaugeField& U){
MD.init(U); // set U and initialize P and phi's
RealD evolve_step(GaugeField& U){
TheIntegrator.init(U); // set U and initialize P and phi's
RealD H0 = TheIntegrator.S(U); // initial state action
RealD H0 = MD.S(U); // initial state action
std::cout<<GridLogMessage<<"Total H before = "<< H0 << "\n";
MD.integrate(U);
TheIntegrator.integrate(U);
RealD H1 = MD.S(U); // updated state action
RealD H1 = TheIntegrator.S(U); // updated state action
std::cout<<GridLogMessage<<"Total H after = "<< H1 << "\n";
return (H1-H0);
}
@@ -81,16 +89,18 @@ namespace Grid{
/////////////////////////////////////////
// Constructor
/////////////////////////////////////////
HybridMonteCarlo(HMCparameters Pms, Integrator<Algorithm>& MolDyn): Params(Pms),MD(MolDyn) {
//FIXME... initialize RNGs also with seed ; RNG management strategy
sRNG.SeedRandomDevice();
HybridMonteCarlo(HMCparameters Pms, IntegratorType &_Int, GridSerialRNG &_sRNG, GridParallelRNG &_pRNG ) :
Params(Pms),
TheIntegrator(_Int),
sRNG(_sRNG),
pRNG(_pRNG)
{
}
~HybridMonteCarlo(){};
void evolve(LatticeGaugeField& Uin){
void evolve(GaugeField& Uin){
Real DeltaH;
// Thermalizations
@@ -102,7 +112,7 @@ namespace Grid{
}
// Actual updates (evolve a copy Ucopy then copy back eventually)
LatticeGaugeField Ucopy(Uin._grid);
GaugeField Ucopy(Uin._grid);
for(int iter=Params.StartingConfig; iter < Params.Nsweeps+Params.StartingConfig; ++iter){
std::cout<<GridLogMessage << "-- # Sweep = "<< iter << "\n";