int lock_vectors_dprimme(double tol, double *aNormEstimate, double *maxConvTol,
int *basisSize, int *numLocked, int *numGuesses, int *nextGuess,
double *V, double *W, double *H, double *evecsHat, double *M,
double *UDU, int *ipivot, double *hVals, double *hVecs,
double *evecs, double *evals, int *perm, double machEps,
double *resNorms, int *numPrevRitzVals, double *prevRitzVals,
int *flag, double *rwork, int rworkSize, int *iwork,
int *LockingProblem, primme_params *primme) {
int i; /* Loop counter */
int numCandidates; /* Number of targeted Ritz vectors converged before */
/* restart. */
int newStart; /* Index in evecs where the locked vectors were added */
int numNewVectors; /* Number of vectors added to the basis to replace */
/* locked vectors. */
int candidate; /* Index of Ritz vector to be checked for convergence */
int numDeflated; /* The number of vectors actually locked */
int numReplaced; /* The number of locked vectors that were replaced by */
/* initial guesses. */
int numRecentlyLocked; /* Number of vectors locked. */
int evecsSize; /* The number of orthogonalization constraints plus */
/* the number of locked vectors. */
int ret; /* Used to store return values. */
int workinW; /* Flag whether an active W vector is used as tempwork*/
int entireSpace = (*basisSize+*numLocked >= primme->n); /* bool if entire*/
/* space is built, so current ritzvecs are accurate. */
double *norms, *tnorms; /* Array of residual norms, and temp array */
double attainableTol; /* Used to verify a practical convergence problem*/
double *residual; /* Stores residual vector */
double ztmp; /* temp variable */
/* ----------------------------------------*/
/* Assign temporary work space for residual*/
/* ----------------------------------------*/
if (*basisSize < primme->maxBasisSize) {
/* compute residuals in the next open slot of W */
residual = &W[*basisSize*primme->nLocal];
workinW = 0;
}
else {
/* This basiSize==maxBasisSize, immediately after restart, can only occur
* if the basisSize + numLocked = n (at which case we lock everything)
* OR if (numConverged + restartSize + numPrevRetain > basisSize), ie.
* too many converged. Since we do not know which evec will be locked
* we use the W[LAST] as temporary space, but only after W[LAST] has
* been used to compute residual(LAST) -the while loop starts from LAST.
* After all lockings, if the LAST evec was not locked, we must
* recompute W[LAST]=Av. This matvec event is extremely infrequent */
residual = &W[(*basisSize-1)*primme->nLocal];
workinW = 1;
}
/* -------------------------------------*/
/* Set the tolerance, and attainableTol */
/* -------------------------------------*/
if (primme->aNorm <= 0.0L) {
tol = tol * (*aNormEstimate);
}
attainableTol=max(tol,sqrt(primme->numOrthoConst+*numLocked)*(*maxConvTol));
/* -------------------------------------------------------- */
/* Determine how many Ritz vectors converged before restart */
/* -------------------------------------------------------- */
i = *basisSize - 1;
while ((flag[i] == LOCK_IT ||flag[i] == UNCONDITIONAL_LOCK_IT) && i >= 0) {
i--;
}
numCandidates = *basisSize - i - 1;
if (numCandidates == 0) {
return 0;
}
/* --------------------------------- */
/* Compute residuals and their norms */
/* --------------------------------- */
tnorms = (double *) rwork;
norms = tnorms + numCandidates;
for (i = *basisSize-1, candidate = numCandidates-1;
i >= *basisSize-numCandidates; i--, candidate--) {
Num_dcopy_dprimme(primme->nLocal, &W[primme->nLocal*i], 1, residual, 1);
ztmp = -hVals[i];
Num_axpy_dprimme(primme->nLocal, ztmp, &V[primme->nLocal*i],1,residual,1);
tnorms[candidate] = Num_dot_dprimme(primme->nLocal,residual,1,residual,1);
}
/* Global sum the dot products */
(*primme->globalSumDouble)(tnorms, norms, &numCandidates, primme);
numRecentlyLocked = 0;
/* ------------------------------------------------------------------- */
/* Check the convergence of each residual norm. If the Ritz vector is */
/* converged, then lock it. */
/* ------------------------------------------------------------------- */
for (i = *basisSize - numCandidates, candidate = 0; i < *basisSize; i++,
candidate++) {
norms[candidate] = sqrt(norms[candidate]);
/* If the vector has become (regularly or practically) unconverged, */
/* then flag it, else lock it and replace it with an initial guess, */
/* if one is available. Exception: If the entire space is spanned, */
/* we can't do better, so lock it. */
if ((flag[i]!=UNCONDITIONAL_LOCK_IT && norms[candidate] >= tol
&& !entireSpace ) ||
(flag[i]==UNCONDITIONAL_LOCK_IT && norms[candidate] >= attainableTol
&& !entireSpace )) {
flag[i] = UNCONVERGED;
}
else {
/* If an unconditional lock has become converged, show it and */
/* record the max converged tolerance accordingly */
if (norms[candidate]<tol) {
flag[i]=LOCK_IT;
*maxConvTol = max(*maxConvTol, tol);
}
else {
*maxConvTol = max(*maxConvTol, norms[candidate]);
*LockingProblem = 1;
}
if (primme->printLevel >= 2 && primme->procID == 0) {
fprintf(primme->outputFile,
"Lock epair[ %d ]= %e norm %.4e Mvecs %d Time %.4e Flag %d\n",
*numLocked+1, hVals[i], norms[candidate],
primme->stats.numMatvecs,primme_wTimer(0),flag[i]);
fflush(primme->outputFile);
}
/* Copy the converged Ritz vector to the evecs array and */
/* insert the converged Ritz value in sorted order within */
/* the evals array. */
Num_dcopy_dprimme(primme->nLocal, &V[primme->nLocal*i], 1,
&evecs[primme->nLocal*(primme->numOrthoConst + *numLocked)], 1);
insertionSort(hVals[i], evals, norms[candidate], resNorms, perm,
*numLocked, primme);
/* If there are any initial guesses remaining, then copy it */
/* into the basis, else flag the vector as locked so it may */
/* be discarded later. */
if (*numGuesses > 0) {
Num_dcopy_dprimme(primme->nLocal,
&evecs[primme->nLocal*(*nextGuess)], 1, &V[primme->nLocal*i], 1);
flag[i] = INITIAL_GUESS;
*numGuesses = *numGuesses - 1;
*nextGuess = *nextGuess + 1;
}
else {
flag[i] = LOCKED;
}
*numLocked = *numLocked + 1;
numRecentlyLocked++;
}
}
evecsSize = primme->numOrthoConst + *numLocked;
/* -------------------------------------------------------------------- */
/* If a W vector was used as workspace for residual AND its evec has */
/* not been locked out, recompute it, W = A*v. This is rare. */
/* -------------------------------------------------------------------- */
if (workinW && flag[*basisSize-1] != LOCKED) {
update_W_dprimme(V, W, *basisSize-1, 1, primme);
}
/* -------------------------------------------------------------------- */
/* Return IF all target Ritz vectors have been locked, ELSE update the */
/* evecsHat array by applying the preconditioner (if preconditioning is */
/* needed, and JDQMR with right, skew Q projector is applied */
/* -------------------------------------------------------------------- */
if (*numLocked >= primme->numEvals) {
return 0;
}
else if (UDU != NULL) {
/* Compute K^{-1}x for all newly locked eigenvectors */
newStart = primme->nLocal*(evecsSize - numRecentlyLocked);
(*primme->applyPreconditioner)( &evecs[newStart], &evecsHat[newStart],
&numRecentlyLocked, primme);
primme->stats.numPreconds += numRecentlyLocked;
/* Update the projection evecs'*evecsHat now that evecs and evecsHat */
/* have been expanded by numRecentlyLocked columns. Required */
/* workspace is numLocked*numEvals. The most ever needed would be */
/* maxBasisSize*numEvals. */
update_projection_dprimme(evecs, evecsHat, M,
evecsSize-numRecentlyLocked, primme->numOrthoConst+primme->numEvals,
numRecentlyLocked, rwork, primme);
ret = UDUDecompose_dprimme(M, UDU, ipivot, evecsSize, rwork,
rworkSize, primme);
if (ret != 0) {
primme_PushErrorMessage(Primme_lock_vectors, Primme_ududecompose, ret,
__FILE__, __LINE__, primme);
return UDUDECOMPOSE_FAILURE;
}
}
/* --------------------------------------------------------------------- */
/* Swap, towards the end of the basis, vectors that were locked but not */
/* replaced by new initial guesses. */
/* --------------------------------------------------------------------- */
numDeflated = swap_flagVecs_toEnd(*basisSize, LOCKED, V, W, H, hVals, flag,
primme);
/* --------------------------------------------------------------------- */
/* Reduce the basis size by numDeflated and swap the new initial guesses */
/* towards the end of the basis. */
/* --------------------------------------------------------------------- */
numReplaced = swap_flagVecs_toEnd(*basisSize-numDeflated, INITIAL_GUESS,
V, W, H, hVals, flag, primme);
*basisSize = *basisSize - (numDeflated + numReplaced);
if (primme->printLevel >= 5 && primme->procID == 0) {
fprintf(primme->outputFile, "numDeflated: %d numReplaced: %d \
basisSize: %d\n", numDeflated, numReplaced, *basisSize);
}
int init_basis_dprimme(double *V, double *W, double *evecs,
double *evecsHat, double *M, double *UDU, int *ipivot,
double machEps, double *rwork, int rworkSize, int *basisSize,
int *nextGuess, int *numGuesses, double *timeForMV,
primme_params *primme) {
int ret; /* Return value */
int currentSize;
/*-----------------------------------------------------------------------*/
/* Orthogonalize the orthogonalization constraints provided by the user. */
/* If a preconditioner is given and inner iterations are to be */
/* performed, then initialize M. */
/*-----------------------------------------------------------------------*/
if (primme->numOrthoConst > 0) {
ret = ortho_dprimme(evecs, primme->nLocal, 0,
primme->numOrthoConst - 1, NULL, 0, 0, primme->nLocal,
primme->iseed, machEps, rwork, rworkSize, primme);
/* Push an error message onto the stack trace if an error occured */
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_ortho, ret,
__FILE__, __LINE__, primme);
return ORTHO_FAILURE;
}
/* Initialize evecsHat, M, and its factorization UDU,ipivot. This */
/* allows the orthogonalization constraints to be included in the */
/* projector (I-QQ'). Only needed if there is preconditioning, and */
/* JDqmr inner iterations with a right, skew projector. Only in */
/* that case, is UDU not NULL */
if (UDU != NULL) {
(*primme->applyPreconditioner)
(evecs, evecsHat, &primme->numOrthoConst, primme);
primme->stats.numPreconds += primme->numOrthoConst;
update_projection_dprimme(evecs, evecsHat, M, 0,
primme->numOrthoConst+primme->numEvals, primme->numOrthoConst,
rwork, primme);
ret = UDUDecompose_dprimme(M, UDU, ipivot, primme->numOrthoConst,
rwork, rworkSize, primme);
if (ret != 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_ududecompose, ret,
__FILE__, __LINE__, primme);
return UDUDECOMPOSE_FAILURE;
}
} /* if evecsHat and M=evecs'evecsHat, UDU are needed */
} /* if numOrthoCont >0 */
/*-----------------------------------------------------------------------*/
/* No locking */
/*-----------------------------------------------------------------------*/
if (!primme->locking) {
/* Handle case when no initial guesses are provided by the user */
if (primme->initSize == 0) {
ret = init_block_krylov(V, W, 0, primme->minRestartSize - 1, evecs,
primme->numOrthoConst, machEps, rwork, rworkSize, primme);
/* Push an error message onto the stack trace if an error occured */
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_init_block_krylov,
ret, __FILE__, __LINE__, primme);
return INIT_BLOCK_KRYLOV_FAILURE;
}
*basisSize = primme->minRestartSize;
}
else {
/* Handle case when some or all initial guesses are provided by */
/* the user */
/* Copy over the initial guesses provided by the user */
Num_dcopy_dprimme(primme->nLocal*primme->initSize,
&evecs[primme->numOrthoConst*primme->nLocal], 1, V, 1);
/* Orthonormalize the guesses provided by the user */
ret = ortho_dprimme(V, primme->nLocal, 0, primme->initSize-1,
evecs, primme->nLocal, primme->numOrthoConst, primme->nLocal,
primme->iseed, machEps, rwork, rworkSize, primme);
/* Push an error message onto the stack trace if an error occured */
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_ortho, ret,
__FILE__, __LINE__, primme);
return ORTHO_FAILURE;
}
update_W_dprimme(V, W, 0, primme->initSize, primme);
/* An insufficient number of initial guesses were provided by */
/* the user. Generate a block Krylov space to fill the */
/* remaining vacancies. */
if (primme->initSize < primme->minRestartSize) {
ret = init_block_krylov(V, W, primme->initSize,
primme->minRestartSize - 1, evecs, primme->numOrthoConst,
machEps, rwork, rworkSize, primme);
/* Push an error message onto the stack trace if an error occured */
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis,
Primme_init_block_krylov, ret, __FILE__, __LINE__, primme);
return INIT_KRYLOV_FAILURE;
}
*basisSize = primme->minRestartSize;
}
else {
*basisSize = primme->initSize;
}
}
*numGuesses = 0;
*nextGuess = 0;
}
else {
/*-----------------------------------------------------------------------*/
/* Locking */
/*-----------------------------------------------------------------------*/
*numGuesses = primme->initSize;
*nextGuess = primme->numOrthoConst;
/* If some initial guesses are available, copy them to the basis */
/* and orthogonalize them against themselves and the orthogonalization */
/* constraints. */
if (primme->initSize > 0) {
currentSize = min(primme->initSize, primme->minRestartSize);
Num_dcopy_dprimme(primme->nLocal*currentSize,
&evecs[primme->numOrthoConst*primme->nLocal], 1, V, 1);
ret = ortho_dprimme(V, primme->nLocal, 0, currentSize-1, evecs,
primme->nLocal, primme->numOrthoConst, primme->nLocal,
primme->iseed, machEps, rwork, rworkSize, primme);
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_ortho, ret,
__FILE__, __LINE__, primme);
return ORTHO_FAILURE;
}
update_W_dprimme(V, W, 0, currentSize, primme);
*numGuesses = *numGuesses - currentSize;
*nextGuess = *nextGuess + currentSize;
}
else {
currentSize = 0;
}
/* If an insufficient number of guesses was provided, then fill */
/* the remaining vacancies with a block Krylov space. */
if (currentSize < primme->minRestartSize) {
ret = init_block_krylov(V, W, currentSize, primme->minRestartSize - 1,
evecs, primme->numOrthoConst, machEps, rwork, rworkSize, primme);
if (ret < 0) {
primme_PushErrorMessage(Primme_init_basis, Primme_init_block_krylov,
ret, __FILE__, __LINE__, primme);
return INIT_BLOCK_KRYLOV_FAILURE;
}
}
*basisSize = primme->minRestartSize;
}
/* ----------------------------------------------------------- */
/* If time measurements are needed, waste one MV + one Precond */
/* Put dummy results in the first open space of W (currentSize)*/
/* ----------------------------------------------------------- */
if (primme->dynamicMethodSwitch) {
currentSize = primme->nLocal*(*basisSize);
ret = 1;
*timeForMV = primme_wTimer(0);
(*primme->matrixMatvec)(V, &W[currentSize], &ret, primme);
*timeForMV = primme_wTimer(0) - *timeForMV;
primme->stats.numMatvecs += 1;
}
return 0;
}