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Merge pull request #377 from RJHudspith/develop

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NERSC and ILDG for non-SU(3) configuration checkpoints
This commit is contained in:
Peter Boyle 2022-05-03 08:55:48 -04:00 committed by GitHub
commit 79ea027c0b
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15 changed files with 282 additions and 247 deletions
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2
Grid/Makefile.am
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@ -70,7 +70,7 @@ endif
lib_LIBRARIES = libGrid.a
CCFILES += $(extra_sources)
HFILES += $(extra_headers) Config.h Version.h
HFILES += $(extra_headers)
libGrid_a_SOURCES = $(CCFILES)
libGrid_adir = $(includedir)/Grid

9
Grid/parallelIO/IldgIO.h
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@ -31,6 +31,7 @@ directory
#include <fstream>
#include <iomanip>
#include <iostream>
#include <string>
#include <map>
#include <pwd.h>
@ -654,7 +655,8 @@ class IldgWriter : public ScidacWriter {
// Fill ILDG header data struct
//////////////////////////////////////////////////////
ildgFormat ildgfmt ;
ildgfmt.field = std::string("su3gauge");
const std::string stNC = std::to_string( Nc ) ;
ildgfmt.field = std::string("su"+stNC+"gauge");
if ( format == std::string("IEEE32BIG") ) {
ildgfmt.precision = 32;
@ -871,7 +873,8 @@ class IldgReader : public GridLimeReader {
} else {
assert(found_ildgFormat);
assert ( ildgFormat_.field == std::string("su3gauge") );
const std::string stNC = std::to_string( Nc ) ;
assert ( ildgFormat_.field == std::string("su"+stNC+"gauge") );
///////////////////////////////////////////////////////////////////////////////////////
// Populate our Grid metadata as best we can
@ -879,7 +882,7 @@ class IldgReader : public GridLimeReader {
std::ostringstream vers; vers << ildgFormat_.version;
FieldMetaData_.hdr_version = vers.str();
FieldMetaData_.data_type = std::string("4D_SU3_GAUGE_3X3");
FieldMetaData_.data_type = std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC);
FieldMetaData_.nd=4;
FieldMetaData_.dimension.resize(4);

23
Grid/parallelIO/MetaData.h
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@ -6,8 +6,8 @@
Copyright (C) 2015
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
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
@ -203,20 +203,24 @@ template<> inline void PrepareMetaData<vLorentzColourMatrixD>(Lattice<vLorentzCo
//////////////////////////////////////////////////////////////////////
inline void reconstruct3(LorentzColourMatrix & cm)
{
const int x=0;
const int y=1;
const int z=2;
assert( Nc < 4 && Nc > 1 ) ;
for(int mu=0;mu<Nd;mu++){
#if Nc == 2
cm(mu)()(1,0) = -adj(cm(mu)()(0,y)) ;
cm(mu)()(1,1) = adj(cm(mu)()(0,x)) ;
#else
const int x=0 , y=1 , z=2 ; // a little disinenuous labelling
cm(mu)()(2,x) = adj(cm(mu)()(0,y)*cm(mu)()(1,z)-cm(mu)()(0,z)*cm(mu)()(1,y)); //x= yz-zy
cm(mu)()(2,y) = adj(cm(mu)()(0,z)*cm(mu)()(1,x)-cm(mu)()(0,x)*cm(mu)()(1,z)); //y= zx-xz
cm(mu)()(2,z) = adj(cm(mu)()(0,x)*cm(mu)()(1,y)-cm(mu)()(0,y)*cm(mu)()(1,x)); //z= xy-yx
#endif
}
}
////////////////////////////////////////////////////////////////////////////////
// Some data types for intermediate storage
////////////////////////////////////////////////////////////////////////////////
template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, 2>, Nd >;
template<typename vtype> using iLorentzColour2x3 = iVector<iVector<iVector<vtype, Nc>, Nc-1>, Nd >;
typedef iLorentzColour2x3<Complex> LorentzColour2x3;
typedef iLorentzColour2x3<ComplexF> LorentzColour2x3F;
@ -278,7 +282,6 @@ struct GaugeSimpleMunger{
template <class fobj, class sobj>
struct GaugeSimpleUnmunger {
void operator()(sobj &in, fobj &out) {
for (int mu = 0; mu < Nd; mu++) {
for (int i = 0; i < Nc; i++) {
@ -317,8 +320,8 @@ template<class fobj,class sobj>
struct Gauge3x2munger{
void operator() (fobj &in,sobj &out){
for(int mu=0;mu<Nd;mu++){
for(int i=0;i<2;i++){
for(int j=0;j<3;j++){
for(int i=0;i<Nc-1;i++){
for(int j=0;j<Nc;j++){
out(mu)()(i,j) = in(mu)(i)(j);
}}
}
@ -330,8 +333,8 @@ template<class fobj,class sobj>
struct Gauge3x2unmunger{
void operator() (sobj &in,fobj &out){
for(int mu=0;mu<Nd;mu++){
for(int i=0;i<2;i++){
for(int j=0;j<3;j++){
for(int i=0;i<Nc-1;i++){
for(int j=0;j<Nc;j++){
out(mu)(i)(j) = in(mu)()(i,j);
}}
}

36
Grid/parallelIO/NerscIO.h
View File

@ -9,6 +9,7 @@
Author: Matt Spraggs <matthew.spraggs@gmail.com>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: paboyle <paboyle@ph.ed.ac.uk>
Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
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
@ -30,6 +31,8 @@
#ifndef GRID_NERSC_IO_H
#define GRID_NERSC_IO_H
#include <string>
NAMESPACE_BEGIN(Grid);
using namespace Grid;
@ -145,15 +148,17 @@ public:
std::string format(header.floating_point);
int ieee32big = (format == std::string("IEEE32BIG"));
int ieee32 = (format == std::string("IEEE32"));
int ieee64big = (format == std::string("IEEE64BIG"));
int ieee64 = (format == std::string("IEEE64") || format == std::string("IEEE64LITTLE"));
const int ieee32big = (format == std::string("IEEE32BIG"));
const int ieee32 = (format == std::string("IEEE32"));
const int ieee64big = (format == std::string("IEEE64BIG"));
const int ieee64 = (format == std::string("IEEE64") || \
format == std::string("IEEE64LITTLE"));
uint32_t nersc_csum,scidac_csuma,scidac_csumb;
// depending on datatype, set up munger;
// munger is a function of <floating point, Real, data_type>
if ( header.data_type == std::string("4D_SU3_GAUGE") ) {
const std::string stNC = std::to_string( Nc ) ;
if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE") ) {
if ( ieee32 || ieee32big ) {
BinaryIO::readLatticeObject<vLorentzColourMatrixD, LorentzColour2x3F>
(Umu,file,Gauge3x2munger<LorentzColour2x3F,LorentzColourMatrix>(), offset,format,
@ -164,7 +169,7 @@ public:
(Umu,file,Gauge3x2munger<LorentzColour2x3D,LorentzColourMatrix>(),offset,format,
nersc_csum,scidac_csuma,scidac_csumb);
}
} else if ( header.data_type == std::string("4D_SU3_GAUGE_3x3") ) {
} else if ( header.data_type == std::string("4D_SU"+stNC+"_GAUGE_"+stNC+"x"+stNC) ) {
if ( ieee32 || ieee32big ) {
BinaryIO::readLatticeObject<vLorentzColourMatrixD,LorentzColourMatrixF>
(Umu,file,GaugeSimpleMunger<LorentzColourMatrixF,LorentzColourMatrix>(),offset,format,
@ -231,6 +236,7 @@ public:
header.sequence_number = sequence_number;
header.ensemble_id = ens_id;
header.ensemble_label = ens_label;
header.hdr_version = "1.0" ;
typedef LorentzColourMatrixD fobj3D;
typedef LorentzColour2x3D fobj2D;
@ -244,10 +250,14 @@ public:
uint64_t offset;
// Sod it -- always write 3x3 double
// Sod it -- always write NcxNc double
header.floating_point = std::string("IEEE64BIG");
header.data_type = std::string("4D_SU3_GAUGE_3x3");
GaugeSimpleUnmunger<fobj3D,sobj> munge;
const std::string stNC = std::to_string( Nc ) ;
if( two_row ) {
header.data_type = std::string("4D_SU" + stNC + "_GAUGE" );
} else {
header.data_type = std::string("4D_SU" + stNC + "_GAUGE_" + stNC + "x" + stNC );
}
if ( grid->IsBoss() ) {
truncate(file);
offset = writeHeader(header,file);
@ -255,8 +265,15 @@ public:
grid->Broadcast(0,(void *)&offset,sizeof(offset));
uint32_t nersc_csum,scidac_csuma,scidac_csumb;
if( two_row ) {
Gauge3x2unmunger<fobj2D,sobj> munge;
BinaryIO::writeLatticeObject<vobj,fobj2D>(Umu,file,munge,offset,header.floating_point,
nersc_csum,scidac_csuma,scidac_csumb);
} else {
GaugeSimpleUnmunger<fobj3D,sobj> munge;
BinaryIO::writeLatticeObject<vobj,fobj3D>(Umu,file,munge,offset,header.floating_point,
nersc_csum,scidac_csuma,scidac_csumb);
}
header.checksum = nersc_csum;
if ( grid->IsBoss() ) {
writeHeader(header,file);
@ -289,7 +306,6 @@ public:
MachineCharacteristics(header);
uint64_t offset;
#ifdef RNG_RANLUX
header.floating_point = std::string("UINT64");
header.data_type = std::string("RANLUX48");

3
Grid/qcd/utils/WilsonLoops.h
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@ -125,7 +125,6 @@ public:
return sumplaq / vol / faces / Nc; // Nd , Nc dependent... FIXME
}
//////////////////////////////////////////////////
// average over all x,y,z the temporal loop
//////////////////////////////////////////////////
@ -165,7 +164,7 @@ public:
double vol = Umu.Grid()->gSites();
return p.real() / vol / 4.0 / 3.0;
return p.real() / vol / (4.0 * Nc ) ;
};
//////////////////////////////////////////////////

2
configure.ac
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@ -159,7 +159,7 @@ case ${ac_ZMOBIUS} in
esac
############### Nc
AC_ARG_ENABLE([Nc],
[AC_HELP_STRING([--enable-Nc=2|3|4], [enable number of colours])],
[AC_HELP_STRING([--enable-Nc=2|3|4|5], [enable number of colours])],
[ac_Nc=${enable_Nc}], [ac_Nc=3])
case ${ac_Nc} in

8
tests/IO/Test_nersc_io.cc
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@ -147,7 +147,7 @@ int main (int argc, char ** argv)
Complex p = TensorRemove(Tp);
std::cout<<GridLogMessage << "calculated plaquettes " <<p*PlaqScale<<std::endl;
Complex LinkTraceScale(1.0/vol/4.0/3.0);
Complex LinkTraceScale(1.0/vol/4.0/(Real)Nc);
TComplex Tl = sum(LinkTrace);
Complex l = TensorRemove(Tl);
std::cout<<GridLogMessage << "calculated link trace " <<l*LinkTraceScale<<std::endl;
@ -157,8 +157,10 @@ int main (int argc, char ** argv)
Complex ll= TensorRemove(TcP);
std::cout<<GridLogMessage << "coarsened plaquettes sum to " <<ll*PlaqScale<<std::endl;
std::string clone2x3("./ckpoint_clone2x3.4000");
std::string clone3x3("./ckpoint_clone3x3.4000");
const string stNc = to_string( Nc ) ;
const string stNcM1 = to_string( Nc-1 ) ;
std::string clone2x3("./ckpoint_clone"+stNcM1+"x"+stNc+".4000");
std::string clone3x3("./ckpoint_clone"+stNc+"x"+stNc+".4000");
NerscIO::writeConfiguration(Umu,clone3x3,0,precision32);
NerscIO::writeConfiguration(Umu,clone2x3,1,precision32);

30
tests/core/Test_lie_generators.cc
View File

@ -9,6 +9,7 @@ Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: Guido Cossu <guido.cossu@ed.ac.uk>
Author: Jamie Hudspith <renwick.james.hudspth@gmail.com>
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
@ -60,6 +61,10 @@ int main(int argc, char** argv) {
<< std::endl;
SU2::printGenerators();
std::cout << "Dimension of adjoint representation: "<< SU2Adjoint::Dimension << std::endl;
// guard as this code fails to compile for Nc != 3
#if (Nc == 3)
SU2Adjoint::printGenerators();
SU2::testGenerators();
SU2Adjoint::testGenerators();
@ -111,8 +116,6 @@ int main(int argc, char** argv) {
// AdjointRepresentation has the predefined number of colours Nc
// Representations<FundamentalRepresentation, AdjointRepresentation, TwoIndexSymmetricRepresentation> RepresentationTypes(grid);
LatticeGaugeField U(grid), V(grid);
SU3::HotConfiguration<LatticeGaugeField>(gridRNG, U);
SU3::HotConfiguration<LatticeGaugeField>(gridRNG, V);
@ -181,7 +184,6 @@ int main(int argc, char** argv) {
std::cout << GridLogMessage << "orthogonality check 2: " << norm2(Ucheck)
<< std::endl;
// Construct the fundamental matrix in the group
SU3::LatticeMatrix Af(grid);
SU3::FundamentalLieAlgebraMatrix(h_adj,Af);
@ -198,7 +200,6 @@ int main(int argc, char** argv) {
std::cout << GridLogMessage << "unitarity check 2: " << norm2(UnitCheck)
<< std::endl;
// Tranform to the adjoint representation
U = Zero(); // fill this with only one direction
pokeLorentz(U,Ufund,0); // the representation transf acts on full gauge fields
@ -210,11 +211,7 @@ int main(int argc, char** argv) {
typename AdjointRep<Nc>::LatticeMatrix Diff_check_mat = Ur0 - Uadj;
std::cout << GridLogMessage << "Projections structure check group difference : " << norm2(Diff_check_mat) << std::endl;
// TwoIndexRep tests
std::cout << GridLogMessage << "*********************************************"
<< std::endl;
std::cout << GridLogMessage << "*********************************************"
@ -253,8 +250,6 @@ int main(int argc, char** argv) {
std::cout << GridLogMessage << "Test of Two Index anti-Symmetric Generators: "<< SU2TwoIndexAntiSymm::Dimension << std::endl;
SU2TwoIndexAntiSymm::testGenerators();
std::cout << GridLogMessage << "*********************************************"
<< std::endl;
std::cout << GridLogMessage << "Test for the Two Index Symmetric projectors"
@ -357,7 +352,6 @@ int main(int argc, char** argv) {
SU3::LatticeAlgebraVector h_diff_sym = h_sym - h_sym2;
std::cout << GridLogMessage << "Projections structure check vector difference (Two Index Symmetric): " << norm2(h_diff_sym) << std::endl;
// Exponentiate
typename TwoIndexRep< Nc, Symmetric>::LatticeMatrix U2iS(grid);
U2iS = expMat(Ar_sym, 1.0, 16);
@ -376,8 +370,6 @@ int main(int argc, char** argv) {
std::cout << GridLogMessage << "orthogonality check 2: " << norm2(Ucheck2iS)
<< std::endl;
// Construct the fundamental matrix in the group
SU3::LatticeMatrix Af_sym(grid);
SU3::FundamentalLieAlgebraMatrix(h_sym,Af_sym);
@ -403,9 +395,6 @@ int main(int argc, char** argv) {
typename TwoIndexRep< Nc, Symmetric>::LatticeMatrix Diff_check_mat2 = Ur02 - U2iS;
std::cout << GridLogMessage << "Projections structure check group difference (Two Index Symmetric): " << norm2(Diff_check_mat2) << std::endl;
if (TwoIndexRep<Nc, AntiSymmetric >::Dimension != 1){
std::cout << GridLogMessage << "*********************************************"
@ -519,14 +508,7 @@ int main(int argc, char** argv) {
<< std::endl;
}
#endif
Grid_finalize();
}

3
tests/core/Test_reunitarise.cc
View File

@ -122,13 +122,14 @@ int main (int argc, char ** argv)
std::cout << "Determinant defect before projection " <<norm2(detU)<<std::endl;
tmp = U*adj(U) - ident;
std::cout << "Unitarity check before projection " << norm2(tmp)<<std::endl;
#if (Nc == 3)
ProjectSU3(U);
detU= Determinant(U) ;
detU= detU -1.0;
std::cout << "Determinant ProjectSU3 defect " <<norm2(detU)<<std::endl;
tmp = U*adj(U) - ident;
std::cout << "Unitarity check after projection " << norm2(tmp)<<std::endl;
#endif
ProjectSUn(UU);
detUU= Determinant(UU);

4
tests/hmc/Test_hmc_ScalarActionNxN.cc
View File

@ -132,8 +132,8 @@ int main(int argc, char **argv) {
// Checkpointer definition
CheckpointerParameters CPparams(Reader);
//TheHMC.Resources.LoadBinaryCheckpointer(CPparams);
TheHMC.Resources.LoadScidacCheckpointer(CPparams, SPar);
TheHMC.Resources.LoadBinaryCheckpointer(CPparams);
//TheHMC.Resources.LoadScidacCheckpointer(CPparams, SPar); this breaks for compilation without lime
RNGModuleParameters RNGpar(Reader);
TheHMC.Resources.SetRNGSeeds(RNGpar);

6
tests/hmc/Test_hmc_WG_Production.cc
View File

@ -74,10 +74,10 @@ int main(int argc, char **argv) {
// Checkpointer definition
CheckpointerParameters CPparams(Reader);
//TheHMC.Resources.LoadNerscCheckpointer(CPparams);
TheHMC.Resources.LoadNerscCheckpointer(CPparams);
// Store metadata in the Scidac checkpointer
TheHMC.Resources.LoadScidacCheckpointer(CPparams, WilsonPar);
// Store metadata in the Scidac checkpointer - obviously breaks without LIME
//TheHMC.Resources.LoadScidacCheckpointer(CPparams, WilsonPar);
RNGModuleParameters RNGpar(Reader);
TheHMC.Resources.SetRNGSeeds(RNGpar);

10
tests/lanczos/Test_compressed_lanczos.cc
View File

@ -37,6 +37,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
using namespace std;
using namespace Grid;
#ifdef HAVE_LIME
template<class Fobj,class CComplex,int nbasis>
class LocalCoherenceLanczosScidac : public LocalCoherenceLanczos<Fobj,CComplex,nbasis>
{
@ -249,3 +251,11 @@ int main (int argc, char ** argv) {
Grid_finalize();
}
#else
int main( void )
{
return 0 ;
}
#endif // HAVE_LIME_H

11
tests/lanczos/Test_dwf_compressed_lanczos_reorg.cc
View File

@ -36,7 +36,8 @@ Author: Peter Boyle <paboyle@ph.ed.ac.uk>
using namespace std;
using namespace Grid;
;
#ifdef HAVE_LIME
template<class Fobj,class CComplex,int nbasis>
class LocalCoherenceLanczosScidac : public LocalCoherenceLanczos<Fobj,CComplex,nbasis>
@ -250,3 +251,11 @@ int main (int argc, char ** argv) {
Grid_finalize();
}
#else
int main( void )
{
return 0 ;
}
#endif

12
tests/solver/Test_coarse_even_odd.cc
View File

@ -93,8 +93,16 @@ int main(int argc, char** argv) {
// Setup of Dirac Matrix and Operator //
/////////////////////////////////////////////////////////////////////////////
LatticeGaugeField Umu(Grid_f); SU3::HotConfiguration(pRNG_f, Umu);
LatticeGaugeField Umu(Grid_f);
#if (Nc==2)
SU2::HotConfiguration(pRNG_f, Umu);
#elif (defined Nc==3)
SU3::HotConfiguration(pRNG_f, Umu);
#elif (defined Nc==4)
SU4::HotConfiguration(pRNG_f, Umu);
#elif (defined Nc==5)
SU5::HotConfiguration(pRNG_f, Umu);
#endif
RealD checkTolerance = (getPrecision<LatticeFermion>::value == 1) ? 1e-7 : 1e-15;
RealD mass = -0.30;

2
tests/solver/Test_dwf_mrhs_cg.cc
View File

@ -34,6 +34,7 @@ using namespace Grid;
int main (int argc, char ** argv)
{
#ifdef HAVE_LIME
typedef typename DomainWallFermionR::FermionField FermionField;
typedef typename DomainWallFermionR::ComplexField ComplexField;
typename DomainWallFermionR::ImplParams params;
@ -237,4 +238,5 @@ int main (int argc, char ** argv)
}
Grid_finalize();
#endif // HAVE_LIME
}