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Merge pull request #164 from issp-center-dev/ThreeBodyForGeneralSpin
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Three body for general spin
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@k-yoshimi
k-yoshimi authored Dec 3, 2024
2 parents b560cc8 + 007849b commit ec76661
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77 changes: 76 additions & 1 deletion .github/workflows/main.yml
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Expand Up @@ -75,4 +75,79 @@ jobs:
- name: ctest
working-directory: ${{runner.workspace}}/build
shell: bash
run: ctest -V
run: ctest -V -E spinone

ctest_spinone:
runs-on: ${{ matrix.os }}

strategy:
matrix:
os: [ubuntu-22.04]
mpisize: [1, 3, 9]
ompsize: [1, 3]
include:
- os: macos-13
mpisize: 1
ompsize: 1
- os: macos-latest
mpisize: 1
ompsize: 1
- os: ubuntu-20.04
mpisize: 1
ompsize: 1
exclude:
- mpisize: 9
ompsize: 3
- mpisize: 3
ompsize: 3
fail-fast: false

env:
MPIRUN: "mpiexec --oversubscribe -np ${{ matrix.mpisize }}"
OMP_NUM_THREADS: ${{ matrix.ompsize }}

steps:
- uses: actions/checkout@v4

- name: apt
if: ${{ runner.os == 'Linux' }}
run: |
sudo apt update
sudo apt install liblapack-dev openmpi-bin libopenmpi-dev libscalapack-openmpi-dev
- name: brew
if: ${{ runner.os == 'macOS' }}
run: |
brew install openmpi scalapack
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: "3.11"

- name: pip
run: |
python3 -m pip install numpy
- name: make workspace
run: cmake -E make_directory ${{runner.workspace}}/build

- name: cmake
working-directory: ${{runner.workspace}}/build
shell: bash
run: |
if [ ${{ runner.os }} = "macOS" ] ; then
export FC=gfortran-12
fi
cmake -DCMAKE_VERBOSE_MAKEFILE=ON $GITHUB_WORKSPACE
- name: build
working-directory: ${{runner.workspace}}/build
shell: bash
run: cmake --build ./ -j4

- name: ctest
working-directory: ${{runner.workspace}}/build
shell: bash
run: ctest -V -R spinone

190 changes: 178 additions & 12 deletions src/expec_cisajscktaltdc.c
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Original file line number Diff line number Diff line change
Expand Up @@ -771,6 +771,170 @@ int expec_cisajscktalt_SpinHalf(struct BindStruct *X,double complex *vec, FILE *
return 0;
}

/**
* @brief Child function to calculate three-body green functions for general Spin GC model
*
* @param X [in] data list for calculation
* @param vec [in] eigenvectors
* @param _fp [in] output file name
* @retval 0 normally finished
* @retval -1 abnormally finished
*
*/

int expec_Threebody_SpinGeneral(struct BindStruct *X,double complex *vec, FILE **_fp){
long unsigned int i,j;
long unsigned int org_isite1,org_isite2,org_isite3,org_isite4,org_isite5,org_isite6;
long unsigned int org_sigma1,org_sigma2,org_sigma3,org_sigma4,org_sigma5,org_sigma6;
long unsigned int tmp_org_isite1,tmp_org_isite2,tmp_org_isite3,tmp_org_isite4,tmp_org_isite5,tmp_org_isite6;
long unsigned int tmp_org_sigma1,tmp_org_sigma2,tmp_org_sigma3,tmp_org_sigma4,tmp_org_sigma5,tmp_org_sigma6;
long unsigned int tmp_off=0;
long unsigned int tmp_off_2=0;
long unsigned int list1_off=0;
int num1;
double complex tmp_V;
double complex dam_pr;
long int i_max;
int tmp_Sz;
long unsigned int tmp_org=0;
double complex *vec_pr;
vec[0]=0;
i_max=X->Check.idim_max;
X->Large.mode=M_CORR;

vec_pr = cd_1d_allocate(i_max + 1);
for(i=0;i<X->Def.NTBody;i++){
tmp_org_isite1 = X->Def.TBody[i][0]+1;
tmp_org_sigma1 = X->Def.TBody[i][1];
tmp_org_isite2 = X->Def.TBody[i][2]+1;
tmp_org_sigma2 = X->Def.TBody[i][3];
tmp_org_isite3 = X->Def.TBody[i][4]+1;
tmp_org_sigma3 = X->Def.TBody[i][5];
tmp_org_isite4 = X->Def.TBody[i][6]+1;
tmp_org_sigma4 = X->Def.TBody[i][7];

/*[s]For three body*/
tmp_org_isite5 = X->Def.TBody[i][8]+1;
tmp_org_sigma5 = X->Def.TBody[i][9];
tmp_org_isite6 = X->Def.TBody[i][10]+1;
tmp_org_sigma6 = X->Def.TBody[i][11];
/**/
org_isite5 = X->Def.TBody[i][8]+1;
org_sigma5 = X->Def.TBody[i][9];
org_isite6 = X->Def.TBody[i][10]+1;
org_sigma6 = X->Def.TBody[i][11];
dam_pr = 0.0;

/*[s]initialized vec_pr*/
#pragma omp parallel for default(none) private(j) firstprivate(i_max) shared(vec_pr)
for(j=1;j<=i_max;j++){
vec_pr[j] = 0.0+0.0*I;
}
/*[e]initialized vec_pr*/
X->Large.mode = M_MLTPLY;
/* |vec_pr>= c5a6|phi>*/
mltplyGeneralSpinGC_mini(X,tmp_org_isite5-1,tmp_org_sigma5,tmp_org_isite6-1,tmp_org_sigma6,vec_pr,vec);
X->Large.mode = M_CORR;
/*[e]For three body*/

if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,3)!=0){
fprintf(*_fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
dam_pr=child_GC_CisAisCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
dam_pr=child_GC_CisAitCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
dam_pr=child_GC_CisAitCjuAjv_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec_pr);
}
}
else if(org_isite3 > X->Def.Nsite || org_isite1 > X->Def.Nsite){
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
dam_pr=child_GC_CisAisCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, org_sigma4, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
dam_pr=child_GC_CisAitCjuAju_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, tmp_V, X, vec, vec_pr);
}
else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
dam_pr=child_GC_CisAitCjuAjv_GeneralSpin_MPIsingle(org_isite1-1, org_sigma1, org_sigma2, org_isite3-1, org_sigma3, org_sigma4,tmp_V, X, vec, vec_pr);
}
}
else{
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X,org_isite1, org_sigma1,org_isite3, org_sigma3, tmp_V) shared(vec,vec_pr)
for(j=1;j<=i_max;j++){
num1=BitCheckGeneral(j-1, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
num1=BitCheckGeneral(j-1, org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
dam_pr += tmp_V*conj(vec[j])*vec_pr[j];
}
}
}
}else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma3,org_sigma4, tmp_off, tmp_V) shared(vec,vec_pr)
for(j=1;j<=i_max;j++){
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
num1=BitCheckGeneral(tmp_off, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
dam_pr += tmp_V*conj(vec[tmp_off+1])*vec_pr[j];
}
}
}
}else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma2, org_sigma3, tmp_off, tmp_V) shared(vec,vec_pr)
for(j=1;j<=i_max;j++){
num1 = BitCheckGeneral(j-1, org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
num1 = GetOffCompGeneralSpin(j-1, org_isite1, org_sigma2, org_sigma1, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
dam_pr += tmp_V*conj(vec[tmp_off+1])*vec_pr[j];
}
}
}
}else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1, org_sigma2, org_sigma3, org_sigma4, tmp_off, tmp_off_2, tmp_V) shared(vec,vec_pr)
for(j=1;j<=i_max;j++){
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
num1 = GetOffCompGeneralSpin(tmp_off, org_isite1, org_sigma2, org_sigma1, &tmp_off_2, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
dam_pr += tmp_V*conj(vec[tmp_off_2+1])*vec_pr[j];
}
}

}
}
}
dam_pr = SumMPI_dc(dam_pr);
fprintf(*_fp, " %4ld %4ld %4ld %4ld "
" %4ld %4ld %4ld %4ld "
" %4ld %4ld %4ld %4ld "
" %.10lf %.10lf \n",
tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2,
tmp_org_isite3-1, tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,
tmp_org_isite5-1, tmp_org_sigma5, tmp_org_isite6-1, tmp_org_sigma6,
creal(dam_pr),cimag(dam_pr));
}
free_cd_1d_allocate(vec_pr);
return 0;
}





/**
* @brief Child function to calculate two-body green's functions for General Spin model
*
Expand Down Expand Up @@ -1104,6 +1268,9 @@ int expec_cisajscktalt_SpinGC(struct BindStruct *X,double complex *vec, FILE **_
}
} else {
info=expec_cisajscktalt_SpinGCGeneral(X,vec, _fp);
if(X->Def.NTBody>0){
info = expec_Threebody_SpinGeneral(X,vec,_fp_2);
}
}
return info;
}
Expand Down Expand Up @@ -1546,8 +1713,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
i_max=X->Check.idim_max;
X->Large.mode=M_CORR;


for(i=0;i<X->Def.NCisAjtCkuAlvDC;i++){
for(i=0;i<X->Def.NCisAjtCkuAlvDC;i++){
tmp_org_isite1 = X->Def.CisAjtCkuAlvDC[i][0]+1;
tmp_org_sigma1 = X->Def.CisAjtCkuAlvDC[i][1];
tmp_org_isite2 = X->Def.CisAjtCkuAlvDC[i][2]+1;
Expand All @@ -1558,13 +1724,13 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
tmp_org_sigma4 = X->Def.CisAjtCkuAlvDC[i][7];
dam_pr = 0.0;

if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,2)!=0){
//error message will be added
fprintf(*_fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}
if(Rearray_Interactions(i, &org_isite1, &org_isite2, &org_isite3, &org_isite4, &org_sigma1, &org_sigma2, &org_sigma3, &org_sigma4, &tmp_V, X,2)!=0){
//error message will be added
fprintf(*_fp," %4ld %4ld %4ld %4ld %4ld %4ld %4ld %4ld %.10lf %.10lf \n",tmp_org_isite1-1, tmp_org_sigma1, tmp_org_isite2-1, tmp_org_sigma2, tmp_org_isite3-1,tmp_org_sigma3, tmp_org_isite4-1, tmp_org_sigma4,0.0,0.0);
continue;
}

if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
if(org_isite1 > X->Def.Nsite && org_isite3 > X->Def.Nsite){
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
dam_pr=child_GC_CisAisCjuAju_GeneralSpin_MPIdouble(org_isite1-1, org_sigma1, org_isite3-1, org_sigma3, tmp_V, X, vec, vec);
}
Expand Down Expand Up @@ -1594,7 +1760,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
}
else{
if(org_sigma1==org_sigma2 && org_sigma3==org_sigma4 ){ //diagonal
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X,org_isite1, org_sigma1,org_isite3, org_sigma3, tmp_V) shared(vec)
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X,org_isite1, org_sigma1,org_isite3, org_sigma3, tmp_V) shared(vec)
for(j=1;j<=i_max;j++){
num1=BitCheckGeneral(j-1, org_isite1, org_sigma1, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
Expand All @@ -1605,7 +1771,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
}
}
}else if(org_sigma1 == org_sigma2 && org_sigma3 != org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma3,org_sigma4, tmp_off, tmp_V) shared(vec)
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma3,org_sigma4, tmp_off, tmp_V) shared(vec)
for(j=1;j<=i_max;j++){
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
Expand All @@ -1616,7 +1782,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
}
}
}else if(org_sigma1 != org_sigma2 && org_sigma3 == org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma2, org_sigma3, tmp_off, tmp_V) shared(vec)
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1,org_sigma2, org_sigma3, tmp_off, tmp_V) shared(vec)
for(j=1;j<=i_max;j++){
num1 = BitCheckGeneral(j-1, org_isite3, org_sigma3, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
Expand All @@ -1627,7 +1793,7 @@ int expec_cisajscktalt_SpinGCGeneral(struct BindStruct *X,double complex *vec, F
}
}
}else if(org_sigma1 != org_sigma2 && org_sigma3 != org_sigma4){
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1, org_sigma2, org_sigma3, org_sigma4, tmp_off, tmp_off_2, tmp_V) shared(vec)
#pragma omp parallel for default(none) reduction(+:dam_pr) private(j, num1) firstprivate(i_max,X, org_isite1, org_isite3, org_sigma1, org_sigma2, org_sigma3, org_sigma4, tmp_off, tmp_off_2, tmp_V) shared(vec)
for(j=1;j<=i_max;j++){
num1 = GetOffCompGeneralSpin(j-1, org_isite3, org_sigma4, org_sigma3, &tmp_off, X->Def.SiteToBit, X->Def.Tpow);
if(num1 != FALSE){
Expand Down
1 change: 1 addition & 0 deletions src/include/expec_cisajscktaltdc.h
View file
Original file line number Diff line number Diff line change
Expand Up @@ -69,5 +69,6 @@ void expec_cisajscktaltdc_alldiag_spin(
double complex *vec
);

int expec_Threebody_SpinGeneral(struct BindStruct *X,double complex *vec, FILE **_fp);
int expec_Threebody_SpinGCHalf(struct BindStruct *X,double complex *vec, FILE **_fp);
int expec_Fourbody_SpinGCHalf(struct BindStruct *X,double complex *vec, FILE **_fp);
10 changes: 10 additions & 0 deletions src/include/mltplySpin.h
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Original file line number Diff line number Diff line change
Expand Up @@ -35,6 +35,16 @@ void mltplyHalfSpinGC_mini(
double complex *tmp_v1//!<[in] Input producted vector
);

void mltplyGeneralSpinGC_mini(
struct BindStruct *X,//!<[inout]
int site_i,
int spin_i,
int site_j,
int spin_j,
double complex *tmp_v0,//!<[inout] Result vector
double complex *tmp_v1//!<[in] Input producted vector
);

int mltplySpinGC(struct BindStruct *X, double complex *tmp_v0,double complex *tmp_v1);

int mltplyHalfSpinGC(struct BindStruct *X, double complex *tmp_v0,double complex *tmp_v1);
Expand Down
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