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Make changes to rely on ADL get instead of std::get in AFQMC #5239

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merged 2 commits into from
Nov 22, 2024
Merged

Make changes to rely on ADL get instead of std::get in AFQMC #5239

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3c30383
make changes to rely on ADL get instead of std::get. namely restore p…
ye-luo Nov 21, 2024
a51213e
Merge branch 'develop' into cpu-mpi-afqmc
ye-luo Nov 21, 2024
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5 changes: 3 additions & 2 deletions src/AFQMC/Estimators/BackPropagatedEstimator.hpp
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Expand Up @@ -187,15 +187,16 @@ class BackPropagatedEstimator : public EstimatorBase
int ncol(NAEA + ((walker_type == CLOSED) ? 0 : NAEB));
int nx((walker_type == COLLINEAR) ? 2 : 1);

using std::get;
// 1. check structures
if (std::get<0>(Refs.sizes()) != wset.size() || std::get<1>(Refs.sizes()) != nrefs || std::get<2>(Refs.sizes()) != nrow * ncol)
if (get<0>(Refs.sizes()) != wset.size() || get<1>(Refs.sizes()) != nrefs || get<2>(Refs.sizes()) != nrow * ncol)
Refs = mpi3CTensor({wset.size(), nrefs, nrow * ncol}, Refs.get_allocator());
DeviceBufferManager buffer_manager;
StaticMatrix detR({wset.size(), nrefs * nx},
buffer_manager.get_generator().template get_allocator<ComplexType>());

int n0, n1;
std::tie(n0, n1) = FairDivideBoundary(TG.getLocalTGRank(), int(std::get<2>(Refs.sizes())), TG.getNCoresPerTG());
std::tie(n0, n1) = FairDivideBoundary(TG.getLocalTGRank(), int(get<2>(Refs.sizes())), TG.getNCoresPerTG());
boost::multi::array_ref<ComplexType, 3> Refs_(to_address(Refs.origin()), Refs.extensions());

// 2. setup back propagated references
Expand Down
8 changes: 5 additions & 3 deletions src/AFQMC/Estimators/EnergyEstimator.h
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Expand Up @@ -59,11 +59,13 @@ class EnergyEstimator : public EstimatorBase
{
ScopedTimer local_timer(AFQMCTimers[energy_timer]);
size_t nwalk = wset.size();
if (std::get<0>(eloc.sizes()) != nwalk || std::get<1>(eloc.sizes()) != 3)

using std::get;
if (get<0>(eloc.sizes()) != nwalk || get<1>(eloc.sizes()) != 3)
eloc.reextent({static_cast<boost::multi::size_t>(nwalk), 3});
if (std::get<0>(ovlp.sizes()) != nwalk)
if (get<0>(ovlp.sizes()) != nwalk)
ovlp.reextent(iextensions<1u>(nwalk));
if (std::get<0>(wprop.sizes()) != 4 || std::get<1>(wprop.sizes()) != nwalk)
if (get<0>(wprop.sizes()) != 4 || get<1>(wprop.sizes()) != nwalk)
wprop.reextent({4, static_cast<boost::multi::size_t>(nwalk)});

ComplexType dum, et;
Expand Down
6 changes: 4 additions & 2 deletions src/AFQMC/Estimators/FullObsHandler.hpp
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Expand Up @@ -193,10 +193,12 @@ class FullObsHandler : public AFQMCInfo
APP_ABORT("Runtime Error: iav out of range in full1rdm::accumulate. \n\n\n");

int nw(wset.size());
int nrefs(std::get<1>(Refs.sizes()));

using std::get;
int nrefs(get<1>(Refs.sizes()));
double LogOverlapFactor(wset.getLogOverlapFactor());
LocalTGBufferManager shm_buffer_manager;
StaticSHM4Tensor G4D({nw, nspins, std::get<0>(Gdims), std::get<1>(Gdims)},
StaticSHM4Tensor G4D({nw, nspins, get<0>(Gdims), get<1>(Gdims)},
shm_buffer_manager.get_generator().template get_allocator<ComplexType>());
StaticSHMVector DevOv(iextensions<1u>{2 * nw},
shm_buffer_manager.get_generator().template get_allocator<ComplexType>());
Expand Down
12 changes: 8 additions & 4 deletions src/AFQMC/Estimators/MixedRDMEstimator.h
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Expand Up @@ -92,9 +92,11 @@ class MixedRDMEstimator : public EstimatorBase
wset.getProperty(WEIGHT, wgt);

int nx((wset.getWalkerType() == COLLINEAR) ? 2 : 1);
if (std::get<0>(wDMsum.sizes()) != wset.size() || std::get<1>(wDMsum.sizes()) != nx)

using std::get;
if (get<0>(wDMsum.sizes()) != wset.size() || get<1>(wDMsum.sizes()) != nx)
wDMsum.reextent({wset.size(), nx});
if (std::get<0>(wOvlp.sizes()) != wset.size() || std::get<1>(wOvlp.sizes()) != nx)
if (get<0>(wOvlp.sizes()) != wset.size() || get<1>(wOvlp.sizes()) != nx)
wOvlp.reextent({wset.size(), nx});

if (!importanceSampling)
Expand Down Expand Up @@ -126,8 +128,10 @@ class MixedRDMEstimator : public EstimatorBase
denom_average[0] /= block_size;
dump.push("Mixed");
std::string padded_iblock = std::string(n_zero - std::to_string(iblock).length(), '0') + std::to_string(iblock);
boost::multi::array_ref<ComplexType, 1> wOvlp_(wOvlp.origin(), {std::get<0>(wOvlp.sizes()) * std::get<1>(wOvlp.sizes())});
boost::multi::array_ref<ComplexType, 1> wDMsum_(wDMsum.origin(), {std::get<0>(wDMsum.sizes()) * std::get<1>(wDMsum.sizes())});

using std::get;
boost::multi::array_ref<ComplexType, 1> wOvlp_(wOvlp.origin(), {get<0>(wOvlp.sizes()) * get<1>(wOvlp.sizes())});
boost::multi::array_ref<ComplexType, 1> wDMsum_(wDMsum.origin(), {get<0>(wDMsum.sizes()) * get<1>(wDMsum.sizes())});
dump.write(DMAverage, "one_rdm_" + padded_iblock);
dump.write(denom_average, "one_rdm_denom_" + padded_iblock);
dump.write(wOvlp_, "one_rdm_walker_overlaps_" + padded_iblock);
Expand Down
21 changes: 11 additions & 10 deletions src/AFQMC/Estimators/Observables/atomcentered_correlators.hpp
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Expand Up @@ -253,26 +253,27 @@ class atomcentered_correlators : public AFQMCInfo
else
nsp = 2;

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork1D.sizes()) != nw || std::get<1>(DMWork1D.sizes()) != 3 || std::get<2>(DMWork1D.sizes()) != nsites)
if (get<0>(DMWork1D.sizes()) != nw || get<1>(DMWork1D.sizes()) != 3 || get<2>(DMWork1D.sizes()) != nsites)
{
DMWork1D = mpi3CTensor({nw, 3, nsites}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork2D.sizes()) != nw || std::get<1>(DMWork2D.sizes()) != 3 || std::get<2>(DMWork2D.sizes()) != ns2)
if (get<0>(DMWork2D.sizes()) != nw || get<1>(DMWork2D.sizes()) != 3 || get<2>(DMWork2D.sizes()) != ns2)
{
DMWork2D = mpi3CTensor({nw, 3, ns2}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(NwIJ.sizes()) != nsp || std::get<1>(NwIJ.sizes()) != nw || std::get<2>(NwIJ.sizes()) != nsites || std::get<3>(NwIJ.sizes()) != nsites)
if (get<0>(NwIJ.sizes()) != nsp || get<1>(NwIJ.sizes()) != nw || get<2>(NwIJ.sizes()) != nsites || get<3>(NwIJ.sizes()) != nsites)
{
NwIJ = mpi3C4Tensor({nsp, nw, nsites, nsites}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(NwI.sizes()) != nsp || std::get<1>(NwI.sizes()) != nw || std::get<2>(NwI.sizes()) != nsites)
if (get<0>(NwI.sizes()) != nsp || get<1>(NwI.sizes()) != nw || get<2>(NwI.sizes()) != nsites)
{
NwI = mpi3CTensor({nsp, nw, nsites}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -284,12 +285,12 @@ class atomcentered_correlators : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork1D.sizes()) != nw || std::get<1>(DMWork1D.sizes()) != 3 || std::get<2>(DMWork1D.sizes()) != nsites ||
std::get<0>(DMWork2D.sizes()) != nw || std::get<1>(DMWork2D.sizes()) != 3 || std::get<2>(DMWork2D.sizes()) != ns2 || std::get<0>(NwI.sizes()) != nsp ||
std::get<1>(NwI.sizes()) != nw || std::get<2>(NwI.sizes()) != nsites || std::get<0>(NwIJ.sizes()) != nsp || std::get<1>(NwIJ.sizes()) != nw ||
std::get<2>(NwIJ.sizes()) != nsites || std::get<3>(NwIJ.sizes()) != nsites || std::get<0>(DMAverage1D.sizes()) != nave || std::get<1>(DMAverage1D.sizes()) != 3 ||
std::get<2>(DMAverage1D.sizes()) != nsites || std::get<0>(DMAverage2D.sizes()) != nave || std::get<1>(DMAverage2D.sizes()) != 3 ||
std::get<2>(DMAverage2D.sizes()) != ns2)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork1D.sizes()) != nw || get<1>(DMWork1D.sizes()) != 3 || get<2>(DMWork1D.sizes()) != nsites ||
get<0>(DMWork2D.sizes()) != nw || get<1>(DMWork2D.sizes()) != 3 || get<2>(DMWork2D.sizes()) != ns2 || get<0>(NwI.sizes()) != nsp ||
get<1>(NwI.sizes()) != nw || get<2>(NwI.sizes()) != nsites || get<0>(NwIJ.sizes()) != nsp || get<1>(NwIJ.sizes()) != nw ||
get<2>(NwIJ.sizes()) != nsites || get<3>(NwIJ.sizes()) != nsites || get<0>(DMAverage1D.sizes()) != nave || get<1>(DMAverage1D.sizes()) != 3 ||
get<2>(DMAverage1D.sizes()) != nsites || get<0>(DMAverage2D.sizes()) != nave || get<1>(DMAverage2D.sizes()) != 3 ||
get<2>(DMAverage2D.sizes()) != ns2)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down
7 changes: 4 additions & 3 deletions src/AFQMC/Estimators/Observables/diagonal2rdm.hpp
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Expand Up @@ -133,14 +133,15 @@ class diagonal2rdm : public AFQMCInfo
assert(G.num_elements() == G_host.num_elements());
assert(G.extensions() == G_host.extensions());

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CMatrix({nw, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -149,8 +150,8 @@ class diagonal2rdm : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size || std::get<0>(DMAverage.sizes()) != nave ||
std::get<1>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size || get<0>(DMAverage.sizes()) != nave ||
get<1>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down
21 changes: 13 additions & 8 deletions src/AFQMC/Estimators/Observables/full1rdm.hpp
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Expand Up @@ -131,7 +131,8 @@ class full1rdm : public AFQMCInfo
stdCMatrix R;
if (!dump.readEntry(R, "RotationMatrix"))
APP_ABORT("Error reading RotationMatrix.\n");
if (std::get<1>(R.sizes()) != NMO)
using std::get;
if (get<1>(R.sizes()) != NMO)
APP_ABORT("Error Wrong dimensions in RotationMatrix.\n");
dim[0] = R.size();
dim[1] = 0;
Expand All @@ -143,9 +144,10 @@ class full1rdm : public AFQMCInfo
{
if (!dump.readEntry(I, "Indices"))
APP_ABORT("Error reading Indices.\n");
if (std::get<1>(I.sizes()) != 2)
using std::get;
if (get<1>(I.sizes()) != 2)
APP_ABORT("Error Wrong dimensions in Indices.\n");
dim[1] = std::get<0>(I.sizes());
dim[1] = get<0>(I.sizes());
}
TG.Node().broadcast_n(dim, 2, 0);
XRot = sharedCMatrix({dim[0], NMO}, make_node_allocator<ComplexType>(TG));
Expand Down Expand Up @@ -244,14 +246,15 @@ class full1rdm : public AFQMCInfo
assert(G.num_elements() == G_host.num_elements());
assert(G.extensions() == G_host.extensions());

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CMatrix({nw, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -260,8 +263,8 @@ class full1rdm : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size || std::get<0>(DMAverage.sizes()) != nave ||
std::get<1>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size || get<0>(DMAverage.sizes()) != nave ||
get<1>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down Expand Up @@ -427,9 +430,11 @@ class full1rdm : public AFQMCInfo
template<class MatG, class CVec>
void acc_with_rotation(MatG&& G, CVec&& Xw)
{
using std::get;

int nw(G.size());
assert(std::get<2>(G.sizes()) == std::get<3>(G.sizes()));
assert(std::get<2>(G.sizes()) == std::get<1>(XRot.sizes()));
assert(get<2>(G.sizes()) == get<3>(G.sizes()));
assert(get<2>(G.sizes()) == get<1>(XRot.sizes()));

if (walker_type == NONCOLLINEAR)
APP_ABORT("Error: Not yet implemented: acc_with_rotation && noncollinear.\n");
Expand Down
11 changes: 7 additions & 4 deletions src/AFQMC/Estimators/Observables/full2rdm.hpp
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Expand Up @@ -114,6 +114,8 @@ class full2rdm : public AFQMCInfo
apply_rotation = true;
int dim[2];

using std::get;

hdf_archive dump;
if (TG.Node().root())
{
Expand All @@ -124,7 +126,7 @@ class full2rdm : public AFQMCInfo
stdCMatrix R;
if (!dump.readEntry(R, "RotationMatrix"))
APP_ABORT("Error reading RotationMatrix.\n");
if (std::get<1>(R.sizes()) != NMO)
if (get<1>(R.sizes()) != NMO)
APP_ABORT("Error Wrong dimensions in RotationMatrix.\n");
dim[0] = R.size();
dim[1] = 0;
Expand Down Expand Up @@ -196,14 +198,15 @@ class full2rdm : public AFQMCInfo
assert(G.num_elements() == G_host.num_elements());
assert(G.extensions() == G_host.extensions());

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CMatrix({nw, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -212,8 +215,8 @@ class full2rdm : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size || std::get<0>(DMAverage.sizes()) != nave ||
std::get<1>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size || get<0>(DMAverage.sizes()) != nave ||
get<1>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down
7 changes: 4 additions & 3 deletions src/AFQMC/Estimators/Observables/generalizedFockMatrix.hpp
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Expand Up @@ -133,14 +133,15 @@ class generalizedFockMatrix : public AFQMCInfo
assert(G.extensions() == G_host.extensions());
assert(G[0].num_elements() == dm_size);

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != 3 || std::get<1>(DMWork.sizes()) != nw || std::get<2>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != 3 || get<1>(DMWork.sizes()) != nw || get<2>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CTensor({3, nw, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -149,8 +150,8 @@ class generalizedFockMatrix : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != 2 || std::get<1>(DMWork.sizes()) != nw || std::get<2>(DMWork.sizes()) != dm_size ||
std::get<0>(DMAverage.sizes()) != 2 || std::get<1>(DMAverage.sizes()) != nave || std::get<2>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != 2 || get<1>(DMWork.sizes()) != nw || get<2>(DMWork.sizes()) != dm_size ||
get<0>(DMAverage.sizes()) != 2 || get<1>(DMAverage.sizes()) != nave || get<2>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down
7 changes: 4 additions & 3 deletions src/AFQMC/Estimators/Observables/n2r.hpp
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Expand Up @@ -224,14 +224,15 @@ class n2r : public AFQMCInfo
else
nsp = 2;

using std::get;
// check structure dimensions
if (iref == 0)
{
if (denom.size() != nw)
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CMatrix({nw, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -240,8 +241,8 @@ class n2r : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != dm_size || std::get<0>(DMAverage.sizes()) != nave ||
std::get<1>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != dm_size || get<0>(DMAverage.sizes()) != nave ||
get<1>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand Down
16 changes: 9 additions & 7 deletions src/AFQMC/Estimators/Observables/realspace_correlators.hpp
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Expand Up @@ -224,7 +224,9 @@ class realspace_correlators : public AFQMCInfo
using std::fill_n;
// assumes G[nwalk][spin][M][M]
int nw(G.size());
int npts(std::get<1>(Orbitals.sizes()));

using std::get;
int npts(get<1>(Orbitals.sizes()));
assert(G.size() == wgt.size());
assert(wgt.size() == nw);
assert(Xw.size() == nw);
Expand All @@ -245,11 +247,11 @@ class realspace_correlators : public AFQMCInfo
{
denom = mpi3CVector(iextensions<1u>{nw}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != 3 || std::get<2>(DMWork.sizes()) != dm_size)
if (get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != 3 || get<2>(DMWork.sizes()) != dm_size)
{
DMWork = mpi3CTensor({nw, 3, dm_size}, shared_allocator<ComplexType>{TG.TG_local()});
}
if (std::get<0>(Gr_host.sizes()) != nw || std::get<1>(Gr_host.sizes()) != nsp || std::get<2>(Gr_host.sizes()) != npts || std::get<3>(Gr_host.sizes()) != npts)
if (get<0>(Gr_host.sizes()) != nw || get<1>(Gr_host.sizes()) != nsp || get<2>(Gr_host.sizes()) != npts || get<3>(Gr_host.sizes()) != npts)
{
Gr_host = mpi3C4Tensor({nw, nsp, npts, npts}, shared_allocator<ComplexType>{TG.TG_local()});
}
Expand All @@ -258,9 +260,9 @@ class realspace_correlators : public AFQMCInfo
}
else
{
if (std::get<0>(denom.sizes()) != nw || std::get<0>(DMWork.sizes()) != nw || std::get<1>(DMWork.sizes()) != 3 || std::get<2>(DMWork.sizes()) != dm_size ||
std::get<0>(Gr_host.sizes()) != nw || std::get<1>(Gr_host.sizes()) != nsp || std::get<2>(Gr_host.sizes()) != npts || std::get<3>(Gr_host.sizes()) != npts ||
std::get<0>(DMAverage.sizes()) != nave || std::get<1>(DMAverage.sizes()) != 3 || std::get<2>(DMAverage.sizes()) != dm_size)
if (get<0>(denom.sizes()) != nw || get<0>(DMWork.sizes()) != nw || get<1>(DMWork.sizes()) != 3 || get<2>(DMWork.sizes()) != dm_size ||
get<0>(Gr_host.sizes()) != nw || get<1>(Gr_host.sizes()) != nsp || get<2>(Gr_host.sizes()) != npts || get<3>(Gr_host.sizes()) != npts ||
get<0>(DMAverage.sizes()) != nave || get<1>(DMAverage.sizes()) != 3 || get<2>(DMAverage.sizes()) != dm_size)
APP_ABORT(" Error: Invalid state in accumulate_reference. \n\n\n");
}

Expand All @@ -277,7 +279,7 @@ class realspace_correlators : public AFQMCInfo

// T1[iw][ispin][i][r] = sum_j G[iw][ispin][i][j] * Psi(j,r)
int i0, iN;
std::tie(i0, iN) = FairDivideBoundary(TG.TG_local().rank(), int(std::get<0>(G2D.sizes())), TG.TG_local().size());
std::tie(i0, iN) = FairDivideBoundary(TG.TG_local().rank(), int(get<0>(G2D.sizes())), TG.TG_local().size());
ma::product(G2D.sliced(i0, iN), Orbitals, T.sliced(i0, iN));
TG.TG_local().barrier();

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8 changes: 5 additions & 3 deletions src/AFQMC/Estimators/tests/test_estimators.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -144,9 +144,11 @@ void reduced_density_matrix(boost::mpi3::communicator& world)

WalkerSet wset(TG, doc3.getRoot(), InfoMap["info0"], rng);
auto initial_guess = WfnFac.getInitialGuess(wfn_name);
REQUIRE(std::get<0>(initial_guess.sizes()) == 2);
REQUIRE(std::get<1>(initial_guess.sizes()) == NMO);
REQUIRE(std::get<2>(initial_guess.sizes()) == NAEA);

using std::get;
REQUIRE(get<0>(initial_guess.sizes()) == 2);
REQUIRE(get<1>(initial_guess.sizes()) == NMO);
REQUIRE(get<2>(initial_guess.sizes()) == NAEA);
wset.resize(nwalk, initial_guess[0], initial_guess[0]);
using EstimPtr = std::shared_ptr<EstimatorBase>;
std::vector<EstimPtr> estimators;
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