1 SUBROUTINE ccsdtq_lr_alpha_15_4(d_a,k_a_offset,d_b,k_b_offset,d_c, 2 &k_c_offset) 3C $Id$ 4C This is a Fortran77 program generated by Tensor Contraction Engine v.1.0 5C Copyright (c) Battelle & Pacific Northwest National Laboratory (2002) 6C i1 ( p13 p17 h15 h16 )_ytratrb + = -1/9 * trb ( p13 h15 )_trb * i2 ( p17 h16 )_ytra 7 IMPLICIT NONE 8#include "global.fh" 9#include "mafdecls.fh" 10#include "sym.fh" 11#include "errquit.fh" 12#include "tce.fh" 13 INTEGER d_a 14 INTEGER k_a_offset 15 INTEGER d_b 16 INTEGER k_b_offset 17 INTEGER d_c 18 INTEGER k_c_offset 19 INTEGER nxtask 20 INTEGER next 21 INTEGER nprocs 22 INTEGER count 23 INTEGER p13b 24 INTEGER p17b 25 INTEGER h15b 26 INTEGER h16b 27 INTEGER dimc 28 INTEGER l_c_sort 29 INTEGER k_c_sort 30 INTEGER p13b_1 31 INTEGER h15b_1 32 INTEGER p17b_2 33 INTEGER h16b_2 34 INTEGER dim_common 35 INTEGER dima_sort 36 INTEGER dima 37 INTEGER dimb_sort 38 INTEGER dimb 39 INTEGER l_a_sort 40 INTEGER k_a_sort 41 INTEGER l_a 42 INTEGER k_a 43 INTEGER l_b_sort 44 INTEGER k_b_sort 45 INTEGER l_b 46 INTEGER k_b 47 INTEGER l_c 48 INTEGER k_c 49 EXTERNAL nxtask 50 nprocs = GA_NNODES() 51 count = 0 52 next = nxtask(nprocs,1) 53 DO p13b = noab+1,noab+nvab 54 DO p17b = noab+1,noab+nvab 55 DO h15b = 1,noab 56 DO h16b = 1,noab 57 IF (next.eq.count) THEN 58 IF ((.not.restricted).or.(int_mb(k_spin+p13b-1)+int_mb(k_spin+p17b 59 &-1)+int_mb(k_spin+h15b-1)+int_mb(k_spin+h16b-1).ne.8)) THEN 60 IF (int_mb(k_spin+p13b-1)+int_mb(k_spin+p17b-1) .eq. int_mb(k_spin 61 &+h15b-1)+int_mb(k_spin+h16b-1)) THEN 62 IF (ieor(int_mb(k_sym+p13b-1),ieor(int_mb(k_sym+p17b-1),ieor(int_m 63 &b(k_sym+h15b-1),int_mb(k_sym+h16b-1)))) .eq. ieor(irrep_y,ieor(irr 64 &ep_tra,irrep_trb))) THEN 65 dimc = int_mb(k_range+p13b-1) * int_mb(k_range+p17b-1) * int_mb(k_ 66 &range+h15b-1) * int_mb(k_range+h16b-1) 67 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 68 & ERRQUIT('ccsdtq_lr_alpha_15_4',0,MA_ERR) 69 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 70 IF (int_mb(k_spin+p13b-1) .eq. int_mb(k_spin+h15b-1)) THEN 71 IF (ieor(int_mb(k_sym+p13b-1),int_mb(k_sym+h15b-1)) .eq. irrep_trb 72 &) THEN 73 CALL TCE_RESTRICTED_2(p13b,h15b,p13b_1,h15b_1) 74 CALL TCE_RESTRICTED_2(p17b,h16b,p17b_2,h16b_2) 75 dim_common = 1 76 dima_sort = int_mb(k_range+p13b-1) * int_mb(k_range+h15b-1) 77 dima = dim_common * dima_sort 78 dimb_sort = int_mb(k_range+p17b-1) * int_mb(k_range+h16b-1) 79 dimb = dim_common * dimb_sort 80 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 81 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 82 & ERRQUIT('ccsdtq_lr_alpha_15_4',1,MA_ERR) 83 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 84 &ccsdtq_lr_alpha_15_4',2,MA_ERR) 85 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h15b_ 86 &1 - 1 + noab * (p13b_1 - noab - 1))) 87 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p13b-1 88 &),int_mb(k_range+h15b-1),2,1,1.0d0) 89 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdtq_lr_alpha_15_4',3, 90 &MA_ERR) 91 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 92 & ERRQUIT('ccsdtq_lr_alpha_15_4',4,MA_ERR) 93 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 94 &ccsdtq_lr_alpha_15_4',5,MA_ERR) 95 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(h16b_ 96 &2 - 1 + noab * (p17b_2 - noab - 1))) 97 CALL TCE_SORT_2(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+p17b-1 98 &),int_mb(k_range+h16b-1),2,1,1.0d0) 99 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdtq_lr_alpha_15_4',6, 100 &MA_ERR) 101 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 102 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 103 &t),dima_sort) 104 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdtq_lr_alpha_15_ 105 &4',7,MA_ERR) 106 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdtq_lr_alpha_15_ 107 &4',8,MA_ERR) 108 END IF 109 END IF 110 END IF 111 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 112 &ccsdtq_lr_alpha_15_4',9,MA_ERR) 113 IF ((p13b .le. p17b) .and. (h15b .le. h16b)) THEN 114 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h16b-1 115 &),int_mb(k_range+p17b-1),int_mb(k_range+h15b-1),int_mb(k_range+p13 116 &b-1),4,2,3,1,-1.0d0/36.0d0) 117 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h16b 118 &- 1 + noab * (h15b - 1 + noab * (p17b - noab - 1 + nvab * (p13b - 119 &noab - 1))))) 120 END IF 121 IF ((p13b .le. p17b) .and. (h16b .le. h15b)) THEN 122 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h16b-1 123 &),int_mb(k_range+p17b-1),int_mb(k_range+h15b-1),int_mb(k_range+p13 124 &b-1),4,2,1,3,1.0d0/36.0d0) 125 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h15b 126 &- 1 + noab * (h16b - 1 + noab * (p17b - noab - 1 + nvab * (p13b - 127 &noab - 1))))) 128 END IF 129 IF ((p17b .le. p13b) .and. (h15b .le. h16b)) THEN 130 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h16b-1 131 &),int_mb(k_range+p17b-1),int_mb(k_range+h15b-1),int_mb(k_range+p13 132 &b-1),2,4,3,1,1.0d0/36.0d0) 133 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h16b 134 &- 1 + noab * (h15b - 1 + noab * (p13b - noab - 1 + nvab * (p17b - 135 &noab - 1))))) 136 END IF 137 IF ((p17b .le. p13b) .and. (h16b .le. h15b)) THEN 138 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h16b-1 139 &),int_mb(k_range+p17b-1),int_mb(k_range+h15b-1),int_mb(k_range+p13 140 &b-1),2,4,1,3,-1.0d0/36.0d0) 141 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h15b 142 &- 1 + noab * (h16b - 1 + noab * (p13b - noab - 1 + nvab * (p17b - 143 &noab - 1))))) 144 END IF 145 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdtq_lr_alpha_15_4',10 146 &,MA_ERR) 147 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdtq_lr_alpha_15_ 148 &4',11,MA_ERR) 149 END IF 150 END IF 151 END IF 152 next = nxtask(nprocs,1) 153 END IF 154 count = count + 1 155 END DO 156 END DO 157 END DO 158 END DO 159 next = nxtask(-nprocs,1) 160 call GA_SYNC() 161 RETURN 162 END 163