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Merge pull request #1 from DanielRichtmann/feature/read-openqcd

Feature/read openqcd
This commit is contained in:
Christoph Lehner 2020-03-26 17:39:04 +01:00 committed by GitHub
commit b6cbdd2aa3
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13 changed files with 743 additions and 58 deletions

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@ -301,6 +301,30 @@ struct GaugeSimpleUnmunger {
};
};
template<class fobj,class sobj>
struct GaugeDoubleStoredMunger{
void operator()(fobj &in, sobj &out) {
for (int mu = 0; mu < Nds; mu++) {
for (int i = 0; i < Nc; i++) {
for (int j = 0; j < Nc; j++) {
out(mu)()(i, j) = in(mu)()(i, j);
}}
}
};
};
template <class fobj, class sobj>
struct GaugeDoubleStoredUnmunger {
void operator()(sobj &in, fobj &out) {
for (int mu = 0; mu < Nds; mu++) {
for (int i = 0; i < Nc; i++) {
for (int j = 0; j < Nc; j++) {
out(mu)()(i, j) = in(mu)()(i, j);
}}
}
};
};
template<class fobj,class sobj>
struct Gauge3x2munger{
void operator() (fobj &in,sobj &out){

224
Grid/parallelIO/OpenQcdIO.h Normal file
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@ -0,0 +1,224 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/parallelIO/OpenQcdIO.h
Copyright (C) 2015 - 2020
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
NAMESPACE_BEGIN(Grid);
struct OpenQcdHeader : Serializable {
GRID_SERIALIZABLE_CLASS_MEMBERS(OpenQcdHeader,
int, Nt,
int, Nx,
int, Ny,
int, Nz,
double, plaq);
};
class OpenQcdIO : public BinaryIO {
public:
static constexpr double normalisationFactor = Nc; // normalisation difference: grid 18, openqcd 6
static inline int readHeader(std::string file, GridBase* grid, FieldMetaData& field) {
OpenQcdHeader header;
{
std::ifstream fin(file, std::ios::in | std::ios::binary);
fin.read(reinterpret_cast<char*>(&header), sizeof(OpenQcdHeader));
assert(!fin.fail());
field.data_start = fin.tellg();
fin.close();
}
header.plaq /= normalisationFactor;
// sanity check (should trigger on endian issues)
assert(0 < header.Nt && header.Nt <= 1024);
assert(0 < header.Nx && header.Nx <= 1024);
assert(0 < header.Ny && header.Ny <= 1024);
assert(0 < header.Nz && header.Nz <= 1024);
field.dimension[0] = header.Nx;
field.dimension[1] = header.Ny;
field.dimension[2] = header.Nz;
field.dimension[3] = header.Nt;
std::cout << GridLogDebug << "header: " << header << std::endl;
std::cout << GridLogDebug << "grid dimensions: " << grid->_fdimensions << std::endl;
std::cout << GridLogDebug << "file dimensions: " << field.dimension << std::endl;
assert(grid->_ndimension == Nd);
for(int d = 0; d < Nd; d++)
assert(grid->_fdimensions[d] == field.dimension[d]);
field.plaquette = header.plaq;
return field.data_start;
}
template<class vsimd>
static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
FieldMetaData& header,
std::string file) {
typedef Lattice<iDoubleStoredColourMatrix<vsimd>> DoubleStoredGaugeField;
assert(Ns == 4 and Nd == 4 and Nc == 3);
auto grid = dynamic_cast<GridCartesian*>(Umu.Grid());
assert(grid != nullptr); assert(grid->_ndimension == Nd);
uint64_t offset = readHeader(file, Umu.Grid(), header);
FieldMetaData clone(header);
std::string format("IEEE64"); // they always store little endian double precsision
uint32_t nersc_csum, scidac_csuma, scidac_csumb;
GridCartesian* grid_openqcd = createOpenQcdGrid(grid);
GridRedBlackCartesian* grid_rb = SpaceTimeGrid::makeFourDimRedBlackGrid(grid);
typedef DoubleStoredColourMatrixD fobj;
typedef typename DoubleStoredGaugeField::vector_object::scalar_object sobj;
typedef typename DoubleStoredGaugeField::vector_object::Realified::scalar_type word;
word w = 0;
std::vector<fobj> iodata(grid_openqcd->lSites()); // Munge, checksum, byte order in here
std::vector<sobj> scalardata(grid->lSites());
IOobject(w, grid_openqcd, iodata, file, offset, format, BINARYIO_READ | BINARYIO_LEXICOGRAPHIC,
nersc_csum, scidac_csuma, scidac_csumb);
GridStopWatch timer;
timer.Start();
DoubleStoredGaugeField Umu_ds(grid);
auto munge = GaugeDoubleStoredMunger<DoubleStoredColourMatrixD, DoubleStoredColourMatrix>();
Coordinate ldim = grid->LocalDimensions();
thread_for(idx_g, grid->lSites(), {
Coordinate coor;
grid->LocalIndexToLocalCoor(idx_g, coor);
bool isOdd = grid_rb->CheckerBoard(coor) == Odd;
if(!isOdd) continue;
int idx_o = (coor[Tdir] * ldim[Xdir] * ldim[Ydir] * ldim[Zdir]
+ coor[Xdir] * ldim[Ydir] * ldim[Zdir]
+ coor[Ydir] * ldim[Zdir]
+ coor[Zdir])/2;
munge(iodata[idx_o], scalardata[idx_g]);
});
grid->Barrier(); timer.Stop();
std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: munge overhead " << timer.Elapsed() << std::endl;
timer.Reset(); timer.Start();
vectorizeFromLexOrdArray(scalardata, Umu_ds);
grid->Barrier(); timer.Stop();
std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: vectorize overhead " << timer.Elapsed() << std::endl;
timer.Reset(); timer.Start();
undoDoubleStore(Umu, Umu_ds);
grid->Barrier(); timer.Stop();
std::cout << Grid::GridLogMessage << "OpenQcdIO::readConfiguration: redistribute overhead " << timer.Elapsed() << std::endl;
GaugeStatistics(Umu, clone);
RealD plaq_diff = fabs(clone.plaquette - header.plaquette);
// clang-format off
std::cout << GridLogMessage << "OpenQcd Configuration " << file
<< " plaquette " << clone.plaquette
<< " header " << header.plaquette
<< " difference " << plaq_diff
<< std::endl;
// clang-format on
RealD precTol = (getPrecision<vsimd>::value == 1) ? 2e-7 : 2e-15;
RealD tol = precTol * std::sqrt(grid->_Nprocessors); // taken from RQCD chroma code
if(plaq_diff >= tol)
std::cout << " Plaquette mismatch (diff = " << plaq_diff << ", tol = " << tol << ")" << std::endl;
assert(plaq_diff < tol);
std::cout << GridLogMessage << "OpenQcd Configuration " << file << " and plaquette agree" << std::endl;
}
template<class vsimd>
static inline void writeConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
std::string file) {
std::cout << GridLogError << "Writing to openQCD file format is not implemented" << std::endl;
exit(EXIT_FAILURE);
}
private:
static inline GridCartesian* createOpenQcdGrid(GridCartesian* grid) {
// exploit GridCartesian to be able to still use IOobject
Coordinate gdim = grid->GlobalDimensions();
Coordinate ldim = grid->LocalDimensions();
Coordinate pcoor = grid->ThisProcessorCoor();
// openqcd does rb on the z direction
gdim[Zdir] /= 2;
ldim[Zdir] /= 2;
// and has the order T X Y Z (from slowest to fastest)
std::swap(gdim[Xdir], gdim[Zdir]);
std::swap(ldim[Xdir], ldim[Zdir]);
std::swap(pcoor[Xdir], pcoor[Zdir]);
GridCartesian* ret = SpaceTimeGrid::makeFourDimGrid(gdim, grid->_simd_layout, grid->ProcessorGrid());
ret->_ldimensions = ldim;
ret->_processor_coor = pcoor;
return ret;
}
template<class vsimd>
static inline void undoDoubleStore(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
Lattice<iDoubleStoredColourMatrix<vsimd>> const& Umu_ds) {
conformable(Umu.Grid(), Umu_ds.Grid());
Lattice<iColourMatrix<vsimd>> U(Umu.Grid());
// they store T+, T-, X+, X-, Y+, Y-, Z+, Z-
for(int mu_g = 0; mu_g < Nd; ++mu_g) {
int mu_o = (mu_g + 1) % Nd;
U = PeekIndex<LorentzIndex>(Umu_ds, 2 * mu_o)
+ Cshift(PeekIndex<LorentzIndex>(Umu_ds, 2 * mu_o + 1), mu_g, +1);
PokeIndex<LorentzIndex>(Umu, U, mu_g);
}
}
};
NAMESPACE_END(Grid);

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@ -0,0 +1,281 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/parallelIO/OpenQcdIOChromaReference.h
Copyright (C) 2015 - 2020
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#pragma once
#include <ios>
#include <iostream>
#include <limits>
#include <iomanip>
#include <mpi.h>
#include <ostream>
#include <string>
#define CHECK {std::cerr << __FILE__ << " @l " << __LINE__ << ": CHECK" << grid->ThisRank() << std::endl;}
#define CHECK_VAR(a) { std::cerr << __FILE__ << "@l" << __LINE__ << " on "<< grid->ThisRank() << ": " << __func__ << " " << #a << "=" << (a) << std::endl; }
// #undef CHECK
// #define CHECK
NAMESPACE_BEGIN(Grid);
class ParRdr {
private:
bool const swap;
MPI_Status status;
MPI_File fp;
int err;
MPI_Datatype oddSiteType;
MPI_Datatype fileViewType;
GridBase* grid;
public:
ParRdr(MPI_Comm comm, std::string const& filename, GridBase* gridPtr)
: swap(false)
, grid(gridPtr) {
err = MPI_File_open(comm, const_cast<char*>(filename.c_str()), MPI_MODE_RDONLY, MPI_INFO_NULL, &fp);
assert(err == MPI_SUCCESS);
}
virtual ~ParRdr() { MPI_File_close(&fp); }
inline void errInfo(int const err, std::string const& func) {
static char estring[MPI_MAX_ERROR_STRING];
int eclass = -1, len = 0;
MPI_Error_class(err, &eclass);
MPI_Error_string(err, estring, &len);
std::cerr << func << " - Error " << eclass << ": " << estring << std::endl;
}
int readHeader(FieldMetaData& field) {
assert((grid->_ndimension == Nd) && (Nd == 4));
assert(Nc == 3);
OpenQcdHeader header;
readBlock(reinterpret_cast<char*>(&header), 0, sizeof(OpenQcdHeader), MPI_CHAR);
header.plaq /= 3.; // TODO change this into normalizationfactor
// sanity check (should trigger on endian issues) TODO remove?
assert(0 < header.Nt && header.Nt <= 1024);
assert(0 < header.Nx && header.Nx <= 1024);
assert(0 < header.Ny && header.Ny <= 1024);
assert(0 < header.Nz && header.Nz <= 1024);
field.dimension[0] = header.Nx;
field.dimension[1] = header.Ny;
field.dimension[2] = header.Nz;
field.dimension[3] = header.Nt;
for(int d = 0; d < Nd; d++)
assert(grid->FullDimensions()[d] == field.dimension[d]);
field.plaquette = header.plaq;
field.data_start = sizeof(OpenQcdHeader);
return field.data_start;
}
void readBlock(void* const dest, uint64_t const pos, uint64_t const nbytes, MPI_Datatype const datatype) {
err = MPI_File_read_at_all(fp, pos, dest, nbytes, datatype, &status);
errInfo(err, "MPI_File_read_at_all");
// CHECK_VAR(err)
int read = -1;
MPI_Get_count(&status, datatype, &read);
// CHECK_VAR(read)
assert(nbytes == (uint64_t)read);
assert(err == MPI_SUCCESS);
}
void createTypes() {
constexpr int elem_size = Nd * 2 * 2 * Nc * Nc * sizeof(double); // 2_complex 2_fwdbwd
err = MPI_Type_contiguous(elem_size, MPI_BYTE, &oddSiteType); assert(err == MPI_SUCCESS);
err = MPI_Type_commit(&oddSiteType); assert(err == MPI_SUCCESS);
Coordinate const L = grid->GlobalDimensions();
Coordinate const l = grid->LocalDimensions();
Coordinate const i = grid->ThisProcessorCoor();
Coordinate sizes({L[2] / 2, L[1], L[0], L[3]});
Coordinate subsizes({l[2] / 2, l[1], l[0], l[3]});
Coordinate starts({i[2] * l[2] / 2, i[1] * l[1], i[0] * l[0], i[3] * l[3]});
err = MPI_Type_create_subarray(grid->_ndimension, &sizes[0], &subsizes[0], &starts[0], MPI_ORDER_FORTRAN, oddSiteType, &fileViewType); assert(err == MPI_SUCCESS);
err = MPI_Type_commit(&fileViewType); assert(err == MPI_SUCCESS);
}
void freeTypes() {
err = MPI_Type_free(&fileViewType); assert(err == MPI_SUCCESS);
err = MPI_Type_free(&oddSiteType); assert(err == MPI_SUCCESS);
}
bool readGauge(std::vector<ColourMatrixD>& domain_buff, FieldMetaData& meta) {
auto hdr_offset = readHeader(meta);
CHECK
createTypes();
err = MPI_File_set_view(fp, hdr_offset, oddSiteType, fileViewType, "native", MPI_INFO_NULL); errInfo(err, "MPI_File_set_view0"); assert(err == MPI_SUCCESS);
CHECK
int const domainSites = grid->lSites();
domain_buff.resize(Nd * domainSites); // 2_fwdbwd * 4_Nd * domainSites / 2_onlyodd
// the actual READ
constexpr uint64_t cm_size = 2 * Nc * Nc * sizeof(double); // 2_complex
constexpr uint64_t os_size = Nd * 2 * cm_size; // 2_fwdbwd
constexpr uint64_t max_elems = std::numeric_limits<int>::max(); // int adressable elems: floor is fine
uint64_t const n_os = domainSites / 2;
for(uint64_t os_idx = 0; os_idx < n_os;) {
uint64_t const read_os = os_idx + max_elems <= n_os ? max_elems : n_os - os_idx;
uint64_t const cm = os_idx * Nd * 2;
readBlock(&(domain_buff[cm]), os_idx, read_os, oddSiteType);
os_idx += read_os;
}
CHECK
err = MPI_File_set_view(fp, 0, MPI_BYTE, MPI_BYTE, "native", MPI_INFO_NULL);
errInfo(err, "MPI_File_set_view1");
assert(err == MPI_SUCCESS);
freeTypes();
std::cout << GridLogMessage << "read sum: " << n_os * os_size << " bytes" << std::endl;
return true;
}
};
class OpenQcdIOChromaReference : public BinaryIO {
public:
template<class vsimd>
static inline void readConfiguration(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
Grid::FieldMetaData& header,
std::string file) {
typedef Lattice<iDoubleStoredColourMatrix<vsimd>> DoubledGaugeField;
assert(Ns == 4 and Nd == 4 and Nc == 3);
auto grid = Umu.Grid();
typedef ColourMatrixD fobj;
std::vector<fobj> iodata(
Nd * grid->lSites()); // actual size = 2*Nd*lsites but have only lsites/2 sites in file
{
ParRdr rdr(MPI_COMM_WORLD, file, grid);
rdr.readGauge(iodata, header);
} // equivalent to using binaryio
std::vector<iDoubleStoredColourMatrix<typename vsimd::scalar_type>> Umu_ds_scalar(grid->lSites());
copyToLatticeObject(Umu_ds_scalar, iodata, grid); // equivalent to munging
DoubledGaugeField Umu_ds(grid);
vectorizeFromLexOrdArray(Umu_ds_scalar, Umu_ds);
redistribute(Umu, Umu_ds); // equivalent to undoDoublestore
FieldMetaData clone(header);
GaugeStatistics(Umu, clone);
RealD plaq_diff = fabs(clone.plaquette - header.plaquette);
// clang-format off
std::cout << GridLogMessage << "OpenQcd Configuration " << file
<< " plaquette " << clone.plaquette
<< " header " << header.plaquette
<< " difference " << plaq_diff
<< std::endl;
// clang-format on
RealD precTol = (getPrecision<vsimd>::value == 1) ? 2e-7 : 2e-15;
RealD tol = precTol * std::sqrt(grid->_Nprocessors); // taken from RQCD chroma code
if(plaq_diff >= tol)
std::cout << " Plaquette mismatch (diff = " << plaq_diff << ", tol = " << tol << ")" << std::endl;
assert(plaq_diff < tol);
std::cout << GridLogMessage << "OpenQcd Configuration " << file << " and plaquette agree" << std::endl;
}
private:
template<class vsimd>
static inline void redistribute(Lattice<iLorentzColourMatrix<vsimd>>& Umu,
Lattice<iDoubleStoredColourMatrix<vsimd>> const& Umu_ds) {
Grid::conformable(Umu.Grid(), Umu_ds.Grid());
Lattice<iColourMatrix<vsimd>> U(Umu.Grid());
U = PeekIndex<LorentzIndex>(Umu_ds, 2) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 3), 0, +1); PokeIndex<LorentzIndex>(Umu, U, 0);
U = PeekIndex<LorentzIndex>(Umu_ds, 4) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 5), 1, +1); PokeIndex<LorentzIndex>(Umu, U, 1);
U = PeekIndex<LorentzIndex>(Umu_ds, 6) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 7), 2, +1); PokeIndex<LorentzIndex>(Umu, U, 2);
U = PeekIndex<LorentzIndex>(Umu_ds, 0) + Cshift(PeekIndex<LorentzIndex>(Umu_ds, 1), 3, +1); PokeIndex<LorentzIndex>(Umu, U, 3);
}
static inline void copyToLatticeObject(std::vector<DoubleStoredColourMatrix>& u_fb,
std::vector<ColourMatrixD> const& node_buff,
GridBase* grid) {
assert(node_buff.size() == Nd * grid->lSites());
Coordinate const& l = grid->LocalDimensions();
Coordinate coord(Nd);
int& x = coord[0];
int& y = coord[1];
int& z = coord[2];
int& t = coord[3];
int buff_idx = 0;
for(t = 0; t < l[3]; ++t) // IMPORTANT: openQCD file ordering
for(x = 0; x < l[0]; ++x)
for(y = 0; y < l[1]; ++y)
for(z = 0; z < l[2]; ++z) {
if((t + z + y + x) % 2 == 0) continue;
int local_idx;
Lexicographic::IndexFromCoor(coord, local_idx, grid->LocalDimensions());
for(int mu = 0; mu < 2 * Nd; ++mu)
for(int c1 = 0; c1 < Nc; ++c1) {
for(int c2 = 0; c2 < Nc; ++c2) {
u_fb[local_idx](mu)()(c1,c2) = node_buff[mu+buff_idx]()()(c1,c2);
}
}
buff_idx += 2 * Nd;
}
assert(node_buff.size() == buff_idx);
}
};
NAMESPACE_END(Grid);

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@ -39,6 +39,10 @@ directory
#include <Grid/parallelIO/IldgIOtypes.h>
#include <Grid/parallelIO/IldgIO.h>
#include <Grid/parallelIO/NerscIO.h>
#include <Grid/parallelIO/OpenQcdIO.h>
#if !defined(GRID_COMMS_NONE)
#include <Grid/parallelIO/OpenQcdIOChromaReference.h>
#endif
NAMESPACE_CHECK(Ildg);
#include <Grid/qcd/hmc/checkpointers/CheckPointers.h>

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@ -97,6 +97,23 @@ namespace Grid {
template<typename T, typename V = void> struct is_tensor_variable : public std::false_type {};
template<typename T> struct is_tensor_variable<T, typename std::enable_if<is_tensor<T>::value
&& !is_tensor_fixed<T>::value>::type> : public std::true_type {};
// Helper functions to get the ultimate scalar inside a tensor, and corresponding size
template <typename ET>
inline typename std::enable_if<is_tensor<ET>::value, const typename ET::Index>::type
getScalarCount(const ET &eigenTensor) { return eigenTensor.size() * Traits<ET>::count; }
template <typename ET>
inline typename std::enable_if<is_tensor_of_scalar<ET>::value, const typename ET::Scalar *>::type
getFirstScalar(const ET &eigenTensor) { return eigenTensor.data(); }
template <typename ET>
inline typename std::enable_if<is_tensor_of_scalar<ET>::value, typename ET::Scalar *>::type
getFirstScalar(ET &eigenTensor) { return eigenTensor.data(); }
template <typename ET>
inline typename std::enable_if<is_tensor_of_container<ET>::value, const typename Traits<ET>::scalar_type *>::type
getFirstScalar(const ET &eigenTensor) { return eigenTensor.data()->begin(); }
template <typename ET>
inline typename std::enable_if<is_tensor_of_container<ET>::value, typename Traits<ET>::scalar_type *>::type
getFirstScalar(ET &eigenTensor) { return eigenTensor.data()->begin(); }
}
// Abstract writer/reader classes ////////////////////////////////////////////
@ -128,23 +145,6 @@ namespace Grid {
typename std::enable_if<EigenIO::is_tensor<ETensor>::value>::type
write(const std::string &s, const ETensor &output);
// Helper functions for Scalar vs Container specialisations
template <typename ETensor>
inline typename std::enable_if<EigenIO::is_tensor_of_scalar<ETensor>::value,
const typename ETensor::Scalar *>::type
getFirstScalar(const ETensor &output)
{
return output.data();
}
template <typename ETensor>
inline typename std::enable_if<EigenIO::is_tensor_of_container<ETensor>::value,
const typename EigenIO::Traits<ETensor>::scalar_type *>::type
getFirstScalar(const ETensor &output)
{
return output.data()->begin();
}
template <typename S>
inline typename std::enable_if<EigenIO::is_scalar<S>::value, void>::type
copyScalars(S * &pCopy, const S &Source)
@ -318,12 +318,12 @@ namespace Grid {
TotalDims[TensorRank + i] = Traits::Dimension(i);
// If the Tensor isn't in Row-Major order, then we'll need to copy it's data
const bool CopyData{NumElements > 1 && ETensor::Layout != Eigen::StorageOptions::RowMajor};
const bool CopyData{NumElements > 1 && static_cast<int>( ETensor::Layout ) != static_cast<int>( Eigen::StorageOptions::RowMajor )};
const Scalar * pWriteBuffer;
std::vector<Scalar> CopyBuffer;
const Index TotalNumElements = NumElements * Traits::count;
if( !CopyData ) {
pWriteBuffer = getFirstScalar( output );
pWriteBuffer = EigenIO::getFirstScalar( output );
} else {
// Regardless of the Eigen::Tensor storage order, the copy will be Row Major
CopyBuffer.resize( TotalNumElements );

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@ -231,6 +231,11 @@ void TA2AMesonField<FImpl>::execute(void)
int block = par().block;
int cacheBlock = par().cacheBlock;
if (N_i < block || N_j < block)
{
HADRONS_ERROR(Range, "blockSize must not exceed size of input vector.");
}
LOG(Message) << "Computing all-to-all meson fields" << std::endl;
LOG(Message) << "Left: '" << par().left << "' Right: '" << par().right << "'" << std::endl;
LOG(Message) << "Momenta:" << std::endl;

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@ -263,6 +263,11 @@ void TLapEvec<GImpl>::execute(void)
const int Ntlocal{gridHD->LocalDimensions()[Tdir]};
const int Ntfirst{gridHD->LocalStarts()[Tdir]};
uint32_t ConvergenceErrors{0};
const int NtFull{env().getDim(Tdir)};
TimesliceEvals Evals{ NtFull, LPar.Nvec };
for (int t = 0; t < NtFull; t++)
for (int v = 0; v < LPar.Nvec; v++)
Evals.tensor( t, v ) = 0;
for (int t = 0; t < Ntlocal; t++ )
{
LOG(Message) << "------------------------------------------------------------" << std::endl;
@ -302,6 +307,8 @@ void TLapEvec<GImpl>::execute(void)
InsertSliceLocal(eig[t].evec[i],eig4d.evec[i],0,t,Tdir);
if(t==0 && Ntfirst==0)
eig4d.eval[i] = eig[t].eval[i]; // TODO: Discuss: is this needed? Is there a better way?
if(gridLD->IsBoss()) // Only do this on one node per timeslice, so a global sum will work
Evals.tensor(t + Ntfirst,i) = eig[t].eval[i];
}
}
GridLogIRL.Active( PreviousIRLLogState );
@ -322,9 +329,21 @@ void TLapEvec<GImpl>::execute(void)
sOperatorXml.append( b->parString() );
sOperatorXml.append( "</options></module>" );
eig4d.record.operatorXml = sOperatorXml;
sEigenPackName.append(".");
sEigenPackName.append(std::to_string(vm().getTrajectory()));
sEigenPackName.append(1, '.');
std::size_t NameLen{ sEigenPackName.length() };
const std::string sTrajNum{std::to_string(vm().getTrajectory())};
sEigenPackName.append(sTrajNum);
eig4d.write(sEigenPackName,false);
// Communicate eig[t].evec to boss-node, save into new object evecs
gridHD->GlobalSumVector(EigenIO::getFirstScalar(Evals.tensor),
static_cast<int>(EigenIO::getScalarCount(Evals.tensor)));
if(gridHD->IsBoss())
{
sEigenPackName.resize(NameLen);
sEigenPackName.append("evals.");
sEigenPackName.append(sTrajNum);
Evals.write( sEigenPackName );
}
}
}

View File

@ -34,6 +34,7 @@ using namespace Hadrons;
using namespace MDistil;
template class Grid::Hadrons::MDistil::TPerambulator<FIMPL>;
template class Grid::Hadrons::MDistil::TPerambulator<ZFIMPL>;
BEGIN_HADRONS_NAMESPACE
@ -53,5 +54,8 @@ const std::array<std::string, 4> NoiseTensor::DefaultIndexNames__{"nNoise", "nT"
const std::string PerambTensor::Name__{"Perambulator"};
const std::array<std::string, 6> PerambTensor::DefaultIndexNames__{"nT", "nVec", "LI", "nNoise", "nT_inv", "SI"};
const std::string TimesliceEvals::Name__{"TimesliceEigenValues"};
const std::array<std::string, 2> TimesliceEvals::DefaultIndexNames__{"nT", "nVec"};
END_MODULE_NAMESPACE
END_HADRONS_NAMESPACE

View File

@ -74,6 +74,7 @@ protected:
};
MODULE_REGISTER_TMP(Perambulator, TPerambulator<FIMPL>, MDistil);
MODULE_REGISTER_TMP(ZPerambulator, TPerambulator<ZFIMPL>, MDistil);
/******************************************************************************
* TPerambulator implementation *
@ -89,10 +90,22 @@ std::vector<std::string> TPerambulator<FImpl>::getInput(void)
return {par().lapevec, par().solver, par().noise, par().DistilParams};
}
static const std::string UnsmearedSink{ "_unsmeared_sink" };
template <typename FImpl>
std::vector<std::string> TPerambulator<FImpl>::getOutput(void)
{
return {getName(), getName() + "_unsmeared_sink"};
// Always return perambulator with name of module
std::string objName{ getName() };
std::vector<std::string> output{ objName };
// If unsmeared sink is specified, then output that as well
const std::string UnsmearedSinkFileName{ par().UnsmearedSinkFileName };
if( !UnsmearedSinkFileName.empty() )
{
objName.append( UnsmearedSink );
output.push_back( objName );
}
return output;
}
// setup ///////////////////////////////////////////////////////////////////////
@ -105,9 +118,15 @@ void TPerambulator<FImpl>::setup(void)
const bool full_tdil{ dp.TI == Nt };
const int Nt_inv{ full_tdil ? 1 : dp.TI };
envCreate(PerambTensor, getName(), 1, Nt, dp.nvec, dp.LI, dp.nnoise, Nt_inv, dp.SI);
envCreate(std::vector<FermionField>, getName() + "_unsmeared_sink", 1,
dp.nnoise*dp.LI*Ns*Nt_inv, envGetGrid(FermionField));
std::string objName{ getName() };
envCreate(PerambTensor, objName, 1, Nt, dp.nvec, dp.LI, dp.nnoise, Nt_inv, dp.SI);
const std::string UnsmearedSinkFileName{ par().UnsmearedSinkFileName };
if( !UnsmearedSinkFileName.empty() )
{
objName.append( UnsmearedSink );
envCreate(std::vector<FermionField>, objName, 1, dp.nnoise*dp.LI*Ns*Nt_inv,
envGetGrid(FermionField));
}
envTmpLat(LatticeSpinColourVector, "dist_source");
envTmpLat(LatticeSpinColourVector, "source4d");
@ -139,9 +158,12 @@ void TPerambulator<FImpl>::execute(void)
envGetTmp(FermionField, v5dtmp);
envGetTmp(FermionField, v5dtmp_sol);
auto &noise = envGet(NoiseTensor, par().noise);
auto &perambulator = envGet(PerambTensor, getName());
std::string objName{ getName() };
auto &perambulator = envGet(PerambTensor, objName);
auto &epack = envGet(LapEvecs, par().lapevec);
auto &unsmeared_sink = envGet(std::vector<FermionField>, getName() + "_unsmeared_sink");
objName.append( UnsmearedSink );
const std::string UnsmearedSinkFileName{ par().UnsmearedSinkFileName };
const bool bSaveUnsmearedSink( !UnsmearedSinkFileName.empty() );
envGetTmp(LatticeSpinColourVector, dist_source);
envGetTmp(LatticeSpinColourVector, source4d);
envGetTmp(LatticeSpinColourVector, source3d);
@ -153,7 +175,6 @@ void TPerambulator<FImpl>::execute(void)
GridCartesian * const grid4d{ env().getGrid() }; // Owned by environment (so I won't delete it)
const int Ntlocal{grid4d->LocalDimensions()[3]};
const int Ntfirst{grid4d->LocalStarts()[3]};
const std::string UnsmearedSinkFileName{ par().UnsmearedSinkFileName };
for (int inoise = 0; inoise < dp.nnoise; inoise++)
{
@ -197,8 +218,11 @@ void TPerambulator<FImpl>::execute(void)
mat.ExportPhysicalFermionSolution(v5dtmp_sol, v4dtmp);
result4d = v4dtmp;
}
if (!UnsmearedSinkFileName.empty())
if( bSaveUnsmearedSink )
{
auto &unsmeared_sink = envGet(std::vector<FermionField>, objName);
unsmeared_sink[inoise+dp.nnoise*(dk+dp.LI*(dt+Nt_inv*ds))] = result4d;
}
for (int is = 0; is < Ns; is++)
{
result4d_nospin = peekSpin(result4d,is);
@ -250,9 +274,10 @@ void TPerambulator<FImpl>::execute(void)
}
//Save the unsmeared sinks if filename specified
if (!UnsmearedSinkFileName.empty())
if (bSaveUnsmearedSink)
{
LOG(Message) << "Writing unsmeared sink to " << UnsmearedSinkFileName << std::endl;
auto &unsmeared_sink = envGet(std::vector<FermionField>, objName);
A2AVectorsIo::write(UnsmearedSinkFileName, unsmeared_sink, false, vm().getTrajectory());
}
}

View File

@ -143,7 +143,7 @@ void TWall<FImpl>::execute(void)
envGetTmp(LatticeComplex, coor);
p = strToVec<Real>(par().mom);
ph = Zero();
for(unsigned int mu = 0; mu < env().getNd(); mu++)
for(unsigned int mu = 0; mu < p.size(); mu++)
{
LatticeCoordinate(coor, mu);
ph = ph + (p[mu]/env().getDim(mu))*coor;

View File

@ -159,9 +159,9 @@ using LapEvecs = Grid::Hadrons::EigenPack<LatticeColourVector>;
class NoiseTensor : public NamedTensor<Complex, 4>
{
public:
static const std::string Name__;
static const std::array<std::string, 4> DefaultIndexNames__;
public:
// Default constructor (assumes tensor will be loaded from file)
EIGEN_DEVICE_FUNC EIGEN_STRONG_INLINE NoiseTensor() : NamedTensor{Name__, DefaultIndexNames__} {}
@ -173,9 +173,9 @@ class NoiseTensor : public NamedTensor<Complex, 4>
class PerambTensor : public NamedTensor<SpinVector, 6>
{
public:
static const std::string Name__;
static const std::array<std::string, 6> DefaultIndexNames__;
public:
// Default constructor (assumes tensor will be loaded from file)
EIGEN_DEVICE_FUNC EIGEN_STRONG_INLINE PerambTensor() : NamedTensor{Name__, DefaultIndexNames__} {}
@ -185,6 +185,20 @@ class PerambTensor : public NamedTensor<SpinVector, 6>
: NamedTensor{Name__, DefaultIndexNames__, nT, nVec, LI, nNoise, nT_inv, SI} {}
};
class TimesliceEvals : public NamedTensor<RealD, 2>
{
public:
static const std::string Name__;
static const std::array<std::string, 2> DefaultIndexNames__;
// Default constructor (assumes tensor will be loaded from file)
EIGEN_DEVICE_FUNC EIGEN_STRONG_INLINE TimesliceEvals() : NamedTensor{Name__, DefaultIndexNames__} {}
// Construct a named tensor explicitly specifying size of each dimension
template<typename... IndexTypes>
EIGEN_DEVICE_FUNC EIGEN_STRONG_INLINE TimesliceEvals(Eigen::Index nT, Eigen::Index nVec)
: NamedTensor{Name__, DefaultIndexNames__, nT, nVec} {}
};
END_MODULE_NAMESPACE
END_HADRONS_NAMESPACE
#endif // Hadrons_NamedTensor_hpp_

View File

@ -39,8 +39,8 @@ These are the environment variables we will define for Grid:
Variable | Typical Value | Use
--- | --- | ---
`Grid` | `/Users/user_id/src/Grid` | Path to grid source
`GridPre` | `/Users/user_id/bin` | Path to install directory containing grid pre-requisites built from source
`Grid` | `$HOME/src/Grid` | Path to grid source
`GridPre` | `$HOME/.local` | Path to install directory containing grid pre-requisites built from source
`GridPkg` | **MacPorts**=`/opt/local`, **Homebrew**=`/usr/local` | Path to package manager install directory
Choose either of the following ways to do this, and when you're done, log out and in again. To check these have been set:
@ -54,7 +54,7 @@ Choose either of the following ways to do this, and when you're done, log out an
```apple script
do shell script "launchctl setenv Grid $HOME/src/Grid
launchctl setenv GridPre $HOME/bin
launchctl setenv GridPre $HOME/.local
launchctl setenv GridPkg /opt/local"
```
@ -82,7 +82,7 @@ Make the file `environment.plist` in `~/Library/LaunchAgents` with the following
<string>sh</string>
<string>-c</string>
<string>launchctl setenv Grid $HOME/src/Grid
launchctl setenv GridPre $HOME/bin
launchctl setenv GridPre $HOME/.local
launchctl setenv GridPkg /opt/local</string>
</array>
@ -94,16 +94,18 @@ launchctl setenv GridPkg /opt/local</string>
## 3. Install and build Open MPI -- ***optional***
Download the latest version of [Open MPI][OMPI] version 3.1 (I used 3.1.3).
NB: Grid does not have any dependencies on fortran, however many standard scientific packages do, so you may as well download GNU fortran (e.g. MacPorts ``gfortran`` package) and build Open MPI like so:
Download the latest version of [Open MPI][OMPI] version 3.1 (I used 3.1.5) and build it like so:
[OMPI]: https://www.open-mpi.org/software/ompi/v3.1/
../configure CC=clang CXX=clang++ F77=gfortran FC=gfortran CXXFLAGS=-g --prefix=$GridPre/openmpi
../configure CC=clang CXX=clang++ CXXFLAGS=-g --prefix=$GridPre/bin
make -j 4 all install
(If you don't want to bother with fortran bindings, just don't include the F77 and FC flags)
***Note the `/bin` at the end of the prefix - this is required. As a quirk of the OpenMPI installer, `--prefix` must point to the `bin` subdirectory, with other files installed in `$GridPre/include`, `$GridPre/lib`, `$GridPre/share`, etc.***
Grid does not have any dependencies on fortran, however many standard scientific packages do, so you may wish to download GNU fortran (e.g. MacPorts ``gfortran`` package) and add the following to your configure invocation:
F77=gfortran FC=gfortran
## 4. Install and build Grid pre-requisites
@ -121,17 +123,17 @@ These are the `portname`s for mandatory Grid libraries:
* git-flow-avh
* gmp
* hdf5
* mpfr
and these are the `portname`s for optional Grid libraries:
* fftw-3-single
* hdf5
* lapack
* doxygen
* OpenBLAS
***Please update this list with any packages I've missed! ... and double-check whether OpenBLAS is really for Grid***
***Please update this list with any packages I've missed! ... and double-check whether OpenBLAS is really for Grid. NB: lapack doesn't seem to work. Should it be scalapack?***
### 2. [Homebrew][Homebrew]
@ -149,7 +151,7 @@ There isn't currently a port for [C-LIME][C-LIME], so download the source and th
[C-LIME]: https://usqcd-software.github.io/c-lime/ "C-language API for Lattice QCD Interchange Message Encapsulation / Large Internet Message Encapsulation"
../configure --prefix=$GridPre/lime CC=clang
../configure CC=clang --prefix=$GridPre
make -j 4 all install
## 5. Install, Configure and Build Grid
@ -182,19 +184,19 @@ Below are shown the `configure` script invocations for three recommended configu
This is the build for every day developing and debugging with Xcode. It uses the Xcode clang c++ compiler, without MPI, and defaults to double-precision. Xcode builds the `Debug` configuration with debug symbols for full debugging:
../configure --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre/lime --enable-simd=GEN --enable-precision=double CXX=clang++ --prefix=$GridPre/GridDebug --enable-comms=none --enable-doxygen-doc
../configure CXX=clang++ --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre --enable-simd=GEN --enable-precision=double --prefix=$GridPre/GridDebug --enable-comms=none
#### 2. `Release`
Since Grid itself doesn't really have debug configurations, the release build is recommended to be the same as `Debug`, except using single-precision (handy for validation):
../configure --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre/lime --enable-simd=GEN --enable-precision=single CXX=clang++ --prefix=$GridPre/GridRelease --enable-comms=none --enable-doxygen-doc
../configure CXX=clang++ --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre --enable-simd=GEN --enable-precision=single --prefix=$GridPre/GridRelease --enable-comms=none
#### 3. `MPIDebug`
Debug configuration with MPI:
../configure --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre/lime --enable-simd=GEN --enable-precision=double CXX=clang++ --prefix=$GridPre/GridMPIDebug --enable-comms=mpi-auto MPICXX=$GridPre/openmpi/bin/mpicxx --enable-doxygen-doc
../configure CXX=clang++ --with-hdf5=$GridPkg --with-gmp=$GridPkg --with-mpfr=$GridPkg --with-fftw=$GridPkg --with-lime=$GridPre --enable-simd=GEN --enable-precision=double --prefix=$GridPre/GridMPIDebug --enable-comms=mpi-auto MPICXX=$GridPre/bin/mpicxx
### 5.3 Build Grid
@ -250,9 +252,9 @@ Obtain a list of header locations required by Grid by running the following from
./grid-config --cxxflags
Output should look similar to:
Output should look similar to (but will likely include duplicates):
-I$GridPre/openmpi/include -I$GridPkg/include -I$GridPre/lime/include -I$GridPkg/include -I$GridPkg/include -I$GridPkg/include -O3 -g -std=c++11
-I$GridPre/include -I$GridPkg/include -O3 -g -std=c++11
The header locations follow the `-I` switches. You can ignore the other switches, and you can ignore duplicate entries, which just mean that your package manager has installed multiple packages in the same location.
@ -265,13 +267,12 @@ Set HEADER_SEARCH_PATHS to:
followed by (***the order is important***) the locations reported by `grid-config --cxxflags`, ignoring duplicates, e.g.:
$GridPre/openmpi/include
$GridPre/include
$GridPkg/include
$GridPre/lime/include
**Note: the easiest way to set this value is to put it all on one line, space separated, and edit the text to the right of `HEADER_SEARCH_PATHS`**, i.e.:
$Grid/build$(CONFIGURATION)/Grid $Grid $GridPre/openmpi/include $GridPkg/include $GridPre/lime/include
$Grid/build$(CONFIGURATION)/Grid $Grid $GridPre/include $GridPkg/include
#### LIBRARY_SEARCH_PATHS
@ -279,13 +280,13 @@ Obtain a list of library locations required by Grid by running the following fro
./grid-config --ldflags
Output should look similar to:
Output should look similar to (but will likely include duplicates):
-L$GridPre/openmpi/lib -L$GridPkg/lib -L$GridPre/lime/lib -L$GridPkg/lib -L$GridPkg/lib -L$GridPkg/lib
-L$GridPre/lib -L$GridPkg/lib
Paste the output ***with `$Grid/build$(CONFIGURATION)/Grid $Grid/build$(CONFIGURATION)/Hadrons ` prepended*** into `LIBRARY_SEARCH_PATHS`:
$Grid/build$(CONFIGURATION)/Grid $Grid/build$(CONFIGURATION)/Hadrons $GridPre/openmpi/lib $GridPkg/lib $GridPre/lime/lib
$Grid/build$(CONFIGURATION)/Grid $Grid/build$(CONFIGURATION)/Hadrons $GridPre/lib $GridPkg/lib
### 2. Linking
@ -369,7 +370,7 @@ Instead:
3. From a terminal session, locate and run your executable using `mpirun` (*the mangled name of the project build products will not be exactly the same as this example*):
`$GridPre/openmpi/bin/mpirun -np 2 ~/Library/Developer/Xcode/DerivedData/HelloGrid-fiyyuveptaqelbbvllomcgjyvghr/Build/Products/Debug/HelloGrid --grid 4.4.4.8 --mpi 1.1.1.2`
`$GridPre/bin/mpirun -np 2 ~/Library/Developer/Xcode/DerivedData/HelloGrid-fiyyuveptaqelbbvllomcgjyvghr/Build/Products/Debug/HelloGrid --grid 4.4.4.8 --mpi 1.1.1.2`
The Xcode debugger will attach to the first process.

View File

@ -0,0 +1,84 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/io/Test_openqcd_io.cc
Copyright (C) 2015 - 2020
Author: Daniel Richtmann <daniel.richtmann@ur.de>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
#if defined(GRID_COMMS_NONE)
#error This test requires Grid compiled with MPI
#endif
using namespace Grid;
int main(int argc, char** argv) {
Grid_init(&argc, &argv);
auto simd_layout = GridDefaultSimd(Nd, vComplex::Nsimd());
auto mpi_layout = GridDefaultMpi();
auto latt_size = GridDefaultLatt();
GridCartesian grid(latt_size, simd_layout, mpi_layout);
GridParallelRNG pRNG(&grid);
pRNG.SeedFixedIntegers(std::vector<int>({45, 12, 81, 9}));
LatticeGaugeField Umu_ref(&grid);
LatticeGaugeField Umu_me(&grid);
LatticeGaugeField Umu_diff(&grid);
FieldMetaData header_ref;
FieldMetaData header_me;
Umu_ref = Zero();
Umu_me = Zero();
std::string file("/home/daniel/configs/openqcd/test_16x8_pbcn6");
if(GridCmdOptionExists(argv, argv + argc, "--config")) {
file = GridCmdOptionPayload(argv, argv + argc, "--config");
std::cout << "file: " << file << std::endl;
assert(!file.empty());
}
OpenQcdIOChromaReference::readConfiguration(Umu_ref, header_ref, file);
OpenQcdIO::readConfiguration(Umu_me, header_me, file);
std::cout << GridLogMessage << header_ref << std::endl;
std::cout << GridLogMessage << header_me << std::endl;
Umu_diff = Umu_ref - Umu_me;
// clang-format off
std::cout << GridLogMessage
<< "norm2(Umu_ref) = " << norm2(Umu_ref)
<< " norm2(Umu_me) = " << norm2(Umu_me)
<< " norm2(Umu_diff) = " << norm2(Umu_diff) << std::endl;
// clang-format on
Grid_finalize();
}