#include #include #include #include #include #include #include "thread_mem.h" #ifdef __GNUC__ #define LIKELY(x) __builtin_expect((x), 1) #define UNLIKELY(x) __builtin_expect((x), 0) #else #define LIKELY(x) (x) #define UNLIKELY(x) (x) #endif #undef MAX #undef MIN #define MAX(x, y) ((x) > (y) ? (x) : (y)) #define MIN(x, y) ((x) < (y) ? (x) : (y)) #define SIMD_WIDTH 16 #define BASE_BYTES 2 #define SCORE_BYTES 2 #define BOUNDARY_SCORE_NUM 2 #define TMP_SCORE_ARRAY_NUM 9 #define MEM_ALIGN_BYTES 32 #define ALIGN_SHIFT_BITS 5 #define SIMD_BYTES 32 #define AMBIGUOUS_BASE_CODE 4 #define AMBIGUOUS_BASE_SCORE -1 // 32字节对齐(256位) #define align_mem(x) (((x) + 31) >> 5 << 5) #define align_number(x) align_mem(x) /* 去掉多余计算的值 */ static const uint16_t h_vec_int_mask[SIMD_WIDTH][SIMD_WIDTH] = { {0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0}, {0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff, 0xffff}}; // #define permute_mask _MM_SHUFFLE(0, 1, 2, 3) #define permute_mask 27 // 初始化变量 #define SIMD_INIT \ int oe_del = o_del + e_del, oe_ins = o_ins + e_ins; \ __m256i zero_vec; \ __m256i max_vec, last_max_vec = _mm256_set1_epi16(init_score); \ __m256i oe_del_vec; \ __m256i oe_ins_vec; \ __m256i e_del_vec; \ __m256i e_ins_vec; \ __m256i h_vec_mask[SIMD_WIDTH]; \ zero_vec = _mm256_setzero_si256(); \ oe_del_vec = _mm256_set1_epi16(-oe_del); \ oe_ins_vec = _mm256_set1_epi16(-oe_ins); \ e_del_vec = _mm256_set1_epi16(-e_del); \ e_ins_vec = _mm256_set1_epi16(-e_ins); \ __m256i match_sc_vec = _mm256_set1_epi16(base_match_score); \ __m256i mis_sc_vec = _mm256_set1_epi16(-base_mis_score); \ __m256i amb_sc_vec = _mm256_set1_epi16(AMBIGUOUS_BASE_SCORE); \ __m256i amb_vec = _mm256_set1_epi16(AMBIGUOUS_BASE_CODE); \ for (i = 0; i < SIMD_WIDTH; ++i) \ h_vec_mask[i] = _mm256_loadu_si256((__m256i *)(&h_vec_int_mask[i])); /* * e 表示当前ref的碱基被删除 * f 表示当前seq的碱基插入 * m 表示当前碱基匹配(可以相等,也可以不想等) * h 表示最大值 */ // load向量化数据 #define SIMD_LOAD \ __m256i m1 = _mm256_loadu_si256((__m256i *)(&cur_match_arr[j])); \ __m256i e1 = _mm256_loadu_si256((__m256i *)(&cur_del_arr[j])); \ __m256i m1j1 = _mm256_loadu_si256((__m256i *)(&cur_match_arr[j - 1])); \ __m256i f1j1 = _mm256_loadu_si256((__m256i *)(&cur_ins_arr[j - 1])); \ __m256i h0j1 = _mm256_loadu_si256((__m256i *)(&last_max_arr[j - 1])); \ __m256i qs_vec = _mm256_loadu_si256((__m256i *)(&read_seq[j])); \ __m256i ts_vec = _mm256_loadu_si256((__m256i *)(&ref_seq[i])); // 比对ref和seq的序列,计算罚分 #define SIMD_CMP_SEQ \ /* 将待比对的target序列逆序排列 */ \ ts_vec = _mm256_permute4x64_epi64(ts_vec, permute_mask); \ ts_vec = _mm256_shufflelo_epi16(ts_vec, permute_mask); \ ts_vec = _mm256_shufflehi_epi16(ts_vec, permute_mask); \ __m256i match_mask_vec = _mm256_cmpeq_epi16(qs_vec, ts_vec); /* 比对query和target字符序列 */ \ __m256i mis_score_vec = _mm256_andnot_si256(match_mask_vec, mis_sc_vec); /* 未匹配上的位置赋值mismatch分数 */ \ __m256i score_vec = _mm256_and_si256(match_sc_vec, match_mask_vec); /* 匹配上的位置赋值match分数 */ \ score_vec = _mm256_or_si256(score_vec, mis_score_vec); \ /* 计算模棱两可的字符(N)的位置的分数 */ \ __m256i q_amb_mask_vec = _mm256_cmpeq_epi16(qs_vec, amb_vec); \ __m256i t_amb_mask_vec = _mm256_cmpeq_epi16(ts_vec, amb_vec); \ __m256i amb_mask_vec = _mm256_or_si256(q_amb_mask_vec, t_amb_mask_vec); \ score_vec = _mm256_andnot_si256(amb_mask_vec, score_vec); \ __m256i amb_score_vec = _mm256_and_si256(amb_mask_vec, amb_sc_vec); \ score_vec = _mm256_or_si256(score_vec, amb_score_vec); // 向量化计算h, e, f, m #define SIMD_COMPUTE \ __m256i en_vec0 = _mm256_add_epi16(m1, oe_del_vec); \ __m256i en_vec1 = _mm256_add_epi16(e1, e_del_vec); \ __m256i en_vec = _mm256_max_epi16(en_vec0, en_vec1); \ __m256i fn_vec0 = _mm256_add_epi16(m1j1, oe_ins_vec); \ __m256i fn_vec1 = _mm256_add_epi16(f1j1, e_ins_vec); \ __m256i fn_vec = _mm256_max_epi16(fn_vec0, fn_vec1); \ __m256i mn_vec0 = _mm256_add_epi16(h0j1, score_vec); \ __m256i mn_mask = _mm256_cmpgt_epi16(h0j1, zero_vec); \ __m256i mn_vec = _mm256_and_si256(mn_vec0, mn_mask); \ __m256i hn_vec0 = _mm256_max_epi16(en_vec, fn_vec); \ __m256i hn_vec = _mm256_max_epi16(hn_vec0, mn_vec); \ en_vec = _mm256_max_epi16(en_vec, zero_vec); \ fn_vec = _mm256_max_epi16(fn_vec, zero_vec); \ mn_vec = _mm256_max_epi16(mn_vec, zero_vec); \ hn_vec = _mm256_max_epi16(hn_vec, zero_vec); #define SIMD_STORE \ max_vec = _mm256_max_epu8(max_vec, hn_vec); \ _mm256_storeu_si256((__m256i *)&next_del_arr[j], en_vec); \ _mm256_storeu_si256((__m256i *)&next_ins_arr[j], fn_vec); \ _mm256_storeu_si256((__m256i *)&next_match_arr[j], mn_vec); \ _mm256_storeu_si256((__m256i *)&next_max_arr[j], hn_vec); // 去除多余的部分 #define SIMD_REMOVE_EXTRA \ en_vec = _mm256_and_si256(en_vec, h_vec_mask[read_end_pos - j]); \ fn_vec = _mm256_and_si256(fn_vec, h_vec_mask[read_end_pos - j]); \ mn_vec = _mm256_and_si256(mn_vec, h_vec_mask[read_end_pos - j]); \ hn_vec = _mm256_and_si256(hn_vec, h_vec_mask[read_end_pos - j]); // 找最大值和位置 #define SIMD_FIND_MAX \ __m256i cmp_max = _mm256_cmpgt_epi16(max_vec, last_max_vec); \ uint32_t cmp_result = _mm256_movemask_epi8(cmp_max); \ if (cmp_result > 0) \ { \ max_vec = _mm256_max_epu16(max_vec, _mm256_alignr_epi8(max_vec, max_vec, 2)); \ max_vec = _mm256_max_epu16(max_vec, _mm256_alignr_epi8(max_vec, max_vec, 4)); \ max_vec = _mm256_max_epu16(max_vec, _mm256_alignr_epi8(max_vec, max_vec, 6)); \ max_vec = _mm256_max_epu16(max_vec, _mm256_alignr_epi8(max_vec, max_vec, 8)); \ max_vec = _mm256_max_epu16(max_vec, _mm256_permute2x128_si256(max_vec, max_vec, 0x01)); \ int16_t *maxVal = (int16_t *)&max_vec; \ m = maxVal[0]; \ for (j = aligned_read_start_pos, i = aligned_ref_end_pos; j <= read_end_pos; j += SIMD_WIDTH, i -= SIMD_WIDTH) \ { \ __m256i h2_vec = _mm256_loadu_si256((__m256i *)(&next_max_arr[j])); \ __m256i vcmp = _mm256_cmpeq_epi16(h2_vec, max_vec); \ uint32_t mask = _mm256_movemask_epi8(vcmp); \ if (mask > 0) \ { \ int pos = SIMD_WIDTH - 1 - ((__builtin_clz(mask)) >> 1); \ mj = j - 1 + pos; \ mi = i - 1 - pos; \ for (; mj + 1 < qlen && mi + 1 < tlen; mj++, mi++) \ { \ if (read_seq[mj + 2] == ref_seq[mi + 1 + SIMD_WIDTH]) \ { \ m += base_match_score; \ } \ else \ { \ break; \ } \ } \ } \ } \ last_max_vec = _mm256_set1_epi16(m); \ } // 每轮迭代后,交换数组 #define SWAP_DATA_POINTER \ int16_t *tmp = last_max_arr; \ last_max_arr = cur_max_arr; \ cur_max_arr = next_max_arr; \ next_max_arr = tmp; \ tmp = cur_del_arr; \ cur_del_arr = next_del_arr; \ next_del_arr = tmp; \ tmp = cur_ins_arr; \ cur_ins_arr = next_ins_arr; \ next_ins_arr = tmp; \ tmp = cur_match_arr; \ cur_match_arr = next_match_arr; \ next_match_arr = tmp; int ksw_extend_avx2_aligned(thread_mem_t *tmem, int qlen, // query length 待匹配段碱基的query长度 const uint8_t *query, // read碱基序列 int tlen, // target length reference的长度 const uint8_t *target, // reference序列 int extend_left, // 是不是向左扩展 int o_del, // deletion 错配开始的惩罚系数 int e_del, // deletion extension的惩罚系数 int o_ins, // insertion 错配开始的惩罚系数 int e_ins, // insertion extension的惩罚系数SIMD_BTYES int base_match_score, // 碱基match时的分数 int base_mis_score, // 碱基mismatch时的惩罚分数(正数) int window_size, // 提前剪枝系数,w =100 匹配位置和beg的最大距离 int end_bonus, // 如果query比对到了最后一个字符,额外奖励分值 int init_score, // 该seed的初始得分(完全匹配query的碱基数) int *_qle, // 匹配得到全局最大得分的碱基在query的位置 int *_tle, // 匹配得到全局最大得分的碱基在reference的位置 int *_gtle, // query全部匹配上的target的长度 int *_gscore, // query的端到端匹配得分 int *_max_off) // 取得最大得分时在query和reference上位置差的 最大值 { int16_t *cur_match_arr, *next_match_arr, *last_max_arr, *cur_max_arr, *next_max_arr, *cur_del_arr, *next_del_arr, *cur_ins_arr, *next_ins_arr; // hA0保存上上个col的H,其他的保存上个H E F M int16_t *read_seq, *ref_seq; uint8_t *mem_addr; int read_size = align_number(qlen * BASE_BYTES + MEM_ALIGN_BYTES); int ref_size = align_number((tlen + SIMD_WIDTH) * BASE_BYTES); int back_diagnal_num = tlen + qlen; // 循环跳出条件 D从1开始遍历 int score_array_size = align_number((qlen + BOUNDARY_SCORE_NUM) * SCORE_BYTES); int score_element_num = score_array_size / SCORE_BYTES; int score_mem_size = score_array_size * TMP_SCORE_ARRAY_NUM; int request_mem_size = read_size + ref_size + score_mem_size + MEM_ALIGN_BYTES * 3; // 左侧内存地址对齐 + 数据向左偏移一个元素 + 末尾SIMD补齐 int i, ref_start_pos, di, j, read_start_pos, read_end_pos, max, max_i, max_j, max_ins, max_del, max_ie, gscore, max_off; int span, beg1, end1; // 边界条件计算 int aligned_read_start_pos, aligned_ref_end_pos; int ref_end_pos; SIMD_INIT; // 初始化simd用的数据 assert(init_score > 0); // allocate memory mem_addr = thread_mem_request(tmem, request_mem_size); mem_addr = (void *)align_mem((uint64_t)mem_addr); ref_seq = (int16_t *)&mem_addr[0]; read_seq = (int16_t *)(mem_addr + ref_size + SIMD_BYTES - BASE_BYTES); if (extend_left) { for (i = 0; i < qlen; ++i) read_seq[i + 1] = query[qlen - 1 - i]; for (i = 0; i < tlen; ++i) ref_seq[i + SIMD_WIDTH] = target[tlen - 1 - i]; } else { for (i = 0; i < qlen; ++i) read_seq[i + 1] = query[i]; for (i = 0; i < tlen; ++i) ref_seq[i + SIMD_WIDTH] = target[i]; } mem_addr += read_size + ref_size + (SIMD_BYTES - SCORE_BYTES); for (i = 0; i < score_mem_size; i += SIMD_BYTES) { _mm256_storeu_si256((__m256i *)&mem_addr[i], zero_vec); } last_max_arr = (int16_t *)&mem_addr[0]; cur_max_arr = &last_max_arr[score_element_num]; next_max_arr = &cur_max_arr[score_element_num]; cur_match_arr = &next_max_arr[score_element_num]; next_match_arr = &cur_match_arr[score_element_num]; cur_del_arr = &next_match_arr[score_element_num]; next_del_arr = &cur_del_arr[score_element_num]; cur_ins_arr = &next_del_arr[score_element_num]; next_ins_arr = &cur_ins_arr[score_element_num]; // adjust $window_size if it is too large // get the max score max = base_match_score; max_ins = (int)((double)(qlen * max + end_bonus - o_ins) / e_ins + 1.); max_ins = max_ins > 1 ? max_ins : 1; window_size = window_size < max_ins ? window_size : max_ins; max_del = (int)((double)(qlen * max + end_bonus - o_del) / e_del + 1.); max_del = max_del > 1 ? max_del : 1; window_size = window_size < max_del ? window_size : max_del; // TODO: is this necessary? if (tlen < qlen) window_size = MIN(tlen - 1, window_size); // DP loop max = init_score, max_i = max_j = -1; max_ie = -1, gscore = -1; ; max_off = 0; read_start_pos = 1; read_end_pos = qlen; // init init_score last_max_arr[0] = init_score; // 左上角 if (qlen == 0 || tlen == 0) back_diagnal_num = 0; // 防止意外情况 if (window_size >= qlen) { max_ie = 0; gscore = 0; } for (di = 1; LIKELY(di < back_diagnal_num); ++di) { // 边界条件一定要注意! tlen 大于,等于,小于 qlen时的情况 if (di > tlen) { span = MIN(back_diagnal_num - di, window_size); // 计算的窗口,或者说范围 beg1 = MAX(di - tlen + 1, ((di - window_size) / 2) + 1); } else { span = MIN(di - 1, window_size); beg1 = MAX(1, ((di - window_size) / 2) + 1); } end1 = MIN(qlen, beg1 + span); if (read_start_pos < beg1) read_start_pos = beg1; if (read_end_pos > end1) read_end_pos = end1; if (read_start_pos > read_end_pos) break; // 不用计算了,直接跳出,否则hA2没有被赋值,里边是上一轮hA0的值,会出bug read_start_pos = 1; read_end_pos = qlen; ref_end_pos = di - (read_start_pos - 1); // ref开始计算的位置,倒序 span = read_end_pos - read_start_pos; ref_start_pos = ref_end_pos - span - 1; // 0开始的ref索引位置 // 每一轮需要记录的数据 int m = 0, mj = -1, mi = -1; max_vec = zero_vec; // 要处理边界 // 左边界 处理f (insert) if (ref_start_pos == 0) { cur_max_arr[read_end_pos] = MAX(0, init_score - (o_ins + e_ins * read_end_pos)); } // 上边界 delete if (read_start_pos == 1) { cur_max_arr[0] = MAX(0, init_score - (o_del + e_del * ref_end_pos)); } else { cur_max_arr[read_start_pos - 1] = 0; cur_del_arr[read_start_pos - 1] = 0; } // aligned_read_start_pos = (read_start_pos >> ALIGN_SHIFT_BITS << ALIGN_SHIFT_BITS) + 1; // aligned_ref_end_pos = ref_end_pos + (read_start_pos - aligned_read_start_pos); aligned_read_start_pos = read_start_pos; aligned_ref_end_pos = ref_end_pos; // fprintf(stderr, "%d\t%d\n", read_start_pos, aligned_read_start_pos); for (j = aligned_read_start_pos, i = aligned_ref_end_pos; j <= read_end_pos + 1 - SIMD_WIDTH; j += SIMD_WIDTH, i -= SIMD_WIDTH) { // 取数据 SIMD_LOAD; // 比对seq,计算罚分 SIMD_CMP_SEQ; // 计算 SIMD_COMPUTE; // 存储结果 SIMD_STORE; } // 剩下的计算单元 if (j <= read_end_pos) { // 取数据 SIMD_LOAD; // 比对seq,计算罚分 SIMD_CMP_SEQ; // 计算 SIMD_COMPUTE; // 去除多余计算的部分 SIMD_REMOVE_EXTRA; // 存储结果 SIMD_STORE; } SIMD_FIND_MAX; // 注意最后跳出循环j的值 j = read_end_pos + 1; if (j == qlen + 1) // 遍历到了query最后一个碱基,此时next_max_arr[qlen]为全局匹配的最大分值 { max_ie = gscore > next_max_arr[qlen] ? max_ie : ref_start_pos; gscore = gscore > next_max_arr[qlen] ? gscore : next_max_arr[qlen]; } if (m > max) { max = m, max_i = mi, max_j = mj; max_off = max_off > abs(mj - mi) ? max_off : abs(mj - mi); } // 调整计算的边界 // for (j = read_start_pos; LIKELY(j <= read_end_pos); ++j) //{ // int has_val = cur_max_arr[j - 1] | next_max_arr[j]; // if (has_val) // { // break; // } //} // read_start_pos = j; // // next_max_arr[read_end_pos + 1] = 0; // for (j = read_end_pos + 1; LIKELY(j >= read_start_pos); --j) //{ // int has_val = cur_max_arr[j - 1] | next_max_arr[j]; // if (has_val) // { // break; // } //} // read_end_pos = j + 1 <= qlen ? j + 1 : qlen; // swap m, h, e, f SWAP_DATA_POINTER; } thread_mem_release(tmem, request_mem_size); if (_qle) *_qle = max_j + 1; if (_tle) *_tle = max_i + 1; if (_gtle) *_gtle = max_ie + 1; if (_gscore) *_gscore = gscore; if (_max_off) *_max_off = max_off; return max; }