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looks like its working with 1 proc

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vijay gopal chilkuri 2016-12-21 19:09:11 +01:00
parent 04acb8af41
commit 934b7494e0
1 changed files with 23 additions and 10 deletions
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29
src/ex1.c
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@ -29,6 +29,7 @@ int main(int argc,char **argv)
int ideter[natomax]; int ideter[natomax];
int ideter2[natomax]; int ideter2[natomax];
PetscScalar densmat[4][4]={0.0}; PetscScalar densmat[4][4]={0.0};
PetscScalar densmatfin[4][4]={0.0};
PetscScalar trace; PetscScalar trace;
char const* const fileName = argv[1]; char const* const fileName = argv[1];
@ -57,6 +58,11 @@ int main(int argc,char **argv)
PetscReal xymatfin=0.0; PetscReal xymatfin=0.0;
PetscReal XS = 0.0; PetscReal XS = 0.0;
int kko,kok,kkio; int kko,kok,kkio;
Vec xiaa2; /* initial vector, destination vector */
VecScatter scatter; /* scatter context */
IS from, to; /* index sets that define the scatter */
PetscScalar *values;
int idx_from[] = {0}, idx_to[] = {0};
SlepcInitialize(&argc,&argv,(char*)0,NULL); SlepcInitialize(&argc,&argv,(char*)0,NULL);
ierr = PetscPrintf(PETSC_COMM_WORLD,"\n1-D t-J Eigenproblem, n=%D\n\n",getdata.n);CHKERRQ(ierr); ierr = PetscPrintf(PETSC_COMM_WORLD,"\n1-D t-J Eigenproblem, n=%D\n\n",getdata.n);CHKERRQ(ierr);
@ -353,10 +359,11 @@ int main(int argc,char **argv)
* Calculating the one-particle density matrix * Calculating the one-particle density matrix
*/ */
for(ii=Istart;ii<=Iend;ii+=1){
for(kko=0;kko<=3;kko++){ for(kko=0;kko<=3;kko++){
for(kok=0;kok<=3;kok++){ for(kok=0;kok<=3;kok++){
for(ii=Istart;ii<=Iend;ii+=1){
iii = ii+1; iii = ii+1;
getdet_(&iii,ideter); getdet_(&iii,ideter);
@ -369,11 +376,11 @@ int main(int argc,char **argv)
ideter2[kko]=3; ideter2[kko]=3;
adr_(ideter2, &iaa2); adr_(ideter2, &iaa2);
iaa2 = iaa2 - 1; iaa2 = iaa2 - 1;
Vec xiaa2; /* initial vector, destination vector */
VecScatter scatter; /* scatter context */ /* get value from other processor */
idx_from[0] = iaa2;
IS from, to; /* index sets that define the scatter */ IS from, to; /* index sets that define the scatter */
PetscScalar *values;
int idx_from[] = {iaa2}, idx_to[] = {0};
VecCreateSeq(PETSC_COMM_SELF,1,&xiaa2); VecCreateSeq(PETSC_COMM_SELF,1,&xiaa2);
ISCreateGeneral(PETSC_COMM_SELF,1,idx_from,PETSC_COPY_VALUES,&from); ISCreateGeneral(PETSC_COMM_SELF,1,idx_from,PETSC_COPY_VALUES,&from);
ISCreateGeneral(PETSC_COMM_SELF,1,idx_to, PETSC_COPY_VALUES,&to); ISCreateGeneral(PETSC_COMM_SELF,1,idx_to, PETSC_COPY_VALUES,&to);
@ -384,27 +391,33 @@ int main(int argc,char **argv)
ISDestroy(&from); ISDestroy(&from);
ISDestroy(&to); ISDestroy(&to);
VecScatterDestroy(&scatter); VecScatterDestroy(&scatter);
/* value stored in values */
densmat[kko][kok]=densmat[kko][kok]+valxr[ii]*values[0]; densmat[kko][kok]=densmat[kko][kok]+valxr[ii]*values[0];
if(1)printf("id = %d iaa2 = %d valxr = %18f\n", mpiid, iaa2, values[0]); if(1)printf("id = %d iaa2 = %d valxr = %18f\n", mpiid, iaa2, values[0]);
} }
} }
if(kko == kok && ideter[kko] != 3){ if(kko == kok && ideter[kko] != 3){
densmat[kko][kko]=densmat[kko][kko]+valxr[ii]*valxr[ii]; densmat[kko][kko]=densmat[kko][kko]+valxr[ii]*valxr[ii];
}
} }
} }
} }
printf("mpiid = %d ii = %d kko = %d kok = %d\n", mpiid, ii, kko, kok);
}
printf("done----done");
trace = 0.0; trace = 0.0;
MPI_Reduce(densmat, densmatfin, 16, MPI_DOUBLE, MPI_SUM, 0, PETSC_COMM_WORLD);
if(!mpiid){ if(!mpiid){
for(kko=0;kko<=3;kko++){ for(kko=0;kko<=3;kko++){
trace = trace + densmat[kko][kko]; trace = trace + densmatfin[kko][kko];
} }
for(kko=0;kko<=3;kko++){ for(kko=0;kko<=3;kko++){
for(kok=0;kok<=3;kok++){ for(kok=0;kok<=3;kok++){
densmat[kko][kok]=0.0; densmat[kko][kok]=0.0;
densmatfin[kko][kok]=0.0;
} }
} }
} }