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Deactivated hpc versions woodburry
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@ -365,11 +365,11 @@ qmckl_exit_code qmckl_sm_naive_hpc(
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const uint64_t LDS,
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const uint64_t LDS,
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const uint64_t Dim,
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const uint64_t Dim,
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const uint64_t N_updates,
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const uint64_t N_updates,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith( context,
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return qmckl_failwith( context,
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@ -435,11 +435,11 @@ qmckl_exit_code qmckl_sm_naive_hpc(
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static inline qmckl_exit_code qmckl_sm_naive_{Dim}(
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static inline qmckl_exit_code qmckl_sm_naive_{Dim}(
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const qmckl_context context,
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const qmckl_context context,
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const uint64_t N_updates,
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const uint64_t N_updates,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(context,
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return qmckl_failwith(context,
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@ -561,13 +561,14 @@ qmckl_exit_code qmckl_sm_naive(const qmckl_context context,
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NULL);
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NULL);
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}
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}
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#ifdef HAVE_HPC
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#ifdef HAVE_HPC__BROKEN_WITH_CRAY
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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switch (Dim) {
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<<naive_switch-case_generator()>>
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<<naive_switch-case_generator()>>
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}
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}
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}
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}
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else { // Updating smaller sub-matrix
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else
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{ // Updating smaller sub-matrix
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return qmckl_sm_naive_hpc(
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return qmckl_sm_naive_hpc(
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context,
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context,
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LDS,
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LDS,
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@ -1033,14 +1034,14 @@ qmckl_exit_code qmckl_sm_splitting_core_hpc(
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uint64_t LDS,
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uint64_t LDS,
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uint64_t Dim,
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uint64_t Dim,
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uint64_t N_updates,
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uint64_t N_updates,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict later_updates,
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double* restrict later_updates,
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uint64_t* __restrict later_index,
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uint64_t* restrict later_index,
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uint64_t* __restrict later,
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uint64_t* restrict later,
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double* __restrict determinant) {
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double* restrict determinant) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(
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return qmckl_failwith(
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@ -1117,14 +1118,14 @@ qmckl_exit_code qmckl_sm_splitting_core_hpc(
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static inline qmckl_exit_code qmckl_sm_splitting_core_{Dim}(
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static inline qmckl_exit_code qmckl_sm_splitting_core_{Dim}(
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const qmckl_context context,
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const qmckl_context context,
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uint64_t N_updates,
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uint64_t N_updates,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict later_updates,
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double* restrict later_updates,
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uint64_t* __restrict later_index,
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uint64_t* restrict later_index,
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uint64_t* __restrict later,
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uint64_t* restrict later,
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double* __restrict determinant) {
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double* restrict determinant) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(
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return qmckl_failwith(
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@ -1252,7 +1253,7 @@ qmckl_exit_code qmckl_sm_splitting_core(
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uint64_t* later,
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uint64_t* later,
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double* determinant) {
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double* determinant) {
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#ifdef HAVE_HPC
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#ifdef HAVE_HPC__BROKEN_WITH_CRAY
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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switch (Dim) {
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<<slagel_splitting_switch-case_generator()>>
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<<slagel_splitting_switch-case_generator()>>
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@ -1662,11 +1663,11 @@ qmckl_exit_code qmckl_woodbury_2x2_doc (
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qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t LDS,
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const uint64_t Dim,
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const uint64_t Dim,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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/*
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/*
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C := S^{-1} * U, dim x 2
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C := S^{-1} * U, dim x 2
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B := 1 + V * C, 2 x 2
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B := 1 + V * C, 2 x 2
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@ -1688,8 +1689,6 @@ qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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for (uint64_t i = 0; i < Dim; i++) {
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for (uint64_t i = 0; i < Dim; i++) {
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C[i * 2] = 0;
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C[i * 2] = 0;
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C[i * 2 + 1] = 0;
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C[i * 2 + 1] = 0;
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IVDEP
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ALIGNED
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for (uint64_t k = 0; k < LDS; k++) {
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for (uint64_t k = 0; k < LDS; k++) {
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C[i * 2] += Slater_inv[i * LDS + k] * Updates[k];
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C[i * 2] += Slater_inv[i * LDS + k] * Updates[k];
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C[i * 2 + 1] += Slater_inv[i * LDS + k] * Updates[LDS + k];
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C[i * 2 + 1] += Slater_inv[i * LDS + k] * Updates[LDS + k];
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@ -1723,8 +1722,6 @@ qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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double __attribute__((aligned(8))) tmp[2 * LDS];
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double __attribute__((aligned(8))) tmp[2 * LDS];
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double* r1dim = &(Slater_inv[row1 * LDS]);
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double* r1dim = &(Slater_inv[row1 * LDS]);
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double* r2dim = &(Slater_inv[row2 * LDS]);
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double* r2dim = &(Slater_inv[row2 * LDS]);
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IVDEP
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ALIGNED
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for (uint64_t j = 0; j < LDS; j++) {
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for (uint64_t j = 0; j < LDS; j++) {
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tmp[j] = Binv[0] * r1dim[j] + Binv[1] * r2dim[j];
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tmp[j] = Binv[0] * r1dim[j] + Binv[1] * r2dim[j];
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tmp[LDS + j] = Binv[2] * r1dim[j] + Binv[3] * r2dim[j];
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tmp[LDS + j] = Binv[2] * r1dim[j] + Binv[3] * r2dim[j];
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@ -1732,8 +1729,6 @@ qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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// Compute (S^T)^{-1} - C * tmp : Dim x LDS
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// Compute (S^T)^{-1} - C * tmp : Dim x LDS
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for (uint64_t i = 0; i < Dim; i++) {
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for (uint64_t i = 0; i < Dim; i++) {
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IVDEP
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ALIGNED
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for (uint64_t j = 0; j < LDS; j++) {
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for (uint64_t j = 0; j < LDS; j++) {
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Slater_inv[i * LDS + j] -= C[i * 2] * tmp[j];
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Slater_inv[i * LDS + j] -= C[i * 2] * tmp[j];
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Slater_inv[i * LDS + j] -= C[i * 2 + 1] * tmp[LDS + j];
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Slater_inv[i * LDS + j] -= C[i * 2 + 1] * tmp[LDS + j];
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@ -1748,11 +1743,11 @@ qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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#+begin_src c
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#+begin_src c
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static inline qmckl_exit_code qmckl_woodbury_2x2_{Dim}(
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static inline qmckl_exit_code qmckl_woodbury_2x2_{Dim}(
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const qmckl_context context,
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const qmckl_context context,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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/*
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/*
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C := S^{-1} * U, dim x 2
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C := S^{-1} * U, dim x 2
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B := 1 + V * C, 2 x 2
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B := 1 + V * C, 2 x 2
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@ -1883,7 +1878,7 @@ qmckl_exit_code qmckl_woodbury_2x2(const qmckl_context context,
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NULL);
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NULL);
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}
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}
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#ifdef HAVE_HPC
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#ifdef HAVE_HPC__BROKEN_WITH_CRAY
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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switch (Dim) {
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<<woodbury_2x2_switch-case_generator()>>
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<<woodbury_2x2_switch-case_generator()>>
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@ -2314,11 +2309,11 @@ qmckl_exit_code qmckl_woodbury_3x3_doc (
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qmckl_exit_code qmckl_woodbury_3x3_hpc(const qmckl_context context,
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qmckl_exit_code qmckl_woodbury_3x3_hpc(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t LDS,
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const uint64_t Dim,
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const uint64_t Dim,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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/*
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/*
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C := S^{-1} * U, dim x 3
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C := S^{-1} * U, dim x 3
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B := 1 + V * C, 3 x 3
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B := 1 + V * C, 3 x 3
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@ -2420,11 +2415,11 @@ qmckl_exit_code qmckl_woodbury_3x3_hpc(const qmckl_context context,
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#+begin_src c
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#+begin_src c
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static inline qmckl_exit_code qmckl_woodbury_3x3_{Dim}(
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static inline qmckl_exit_code qmckl_woodbury_3x3_{Dim}(
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const qmckl_context context,
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const qmckl_context context,
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const double* __restrict Updates,
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const double* restrict Updates,
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const uint64_t* __restrict Updates_index,
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const uint64_t* restrict Updates_index,
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const double breakdown,
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const double breakdown,
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double* __restrict Slater_inv,
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double* restrict Slater_inv,
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double* __restrict determinant) {
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double* restrict determinant) {
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/*
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/*
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C := S^{-1} * U, dim x 3
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C := S^{-1} * U, dim x 3
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B := 1 + V * C, 3 x 3
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B := 1 + V * C, 3 x 3
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@ -2575,7 +2570,7 @@ qmckl_exit_code qmckl_woodbury_3x3(const qmckl_context context,
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NULL);
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NULL);
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}
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}
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#ifdef HAVE_HPC
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#ifdef HAVE_HPC__BROKEN_WITH_CRAY
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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switch (Dim) {
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<<woodbury_3x3_switch-case_generator()>>
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<<woodbury_3x3_switch-case_generator()>>
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@ -3037,7 +3032,7 @@ qmckl_exit_code qmckl_sm_splitting(
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"qmckl_sm_splitting",
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"qmckl_sm_splitting",
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NULL);
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NULL);
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}
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}
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#ifdef HAVE_HPC
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#ifdef HAVE_HPC__BROKEN_WITH_CRAY
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return qmckl_sm_splitting_hpc(
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return qmckl_sm_splitting_hpc(
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context,
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context,
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LDS,
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LDS,
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