1 SUBROUTINE ccsdt_lr_alpha2_6_10_3(d_a,k_a_offset,d_b,k_b_offset,d_ 2 &c,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 i2 ( h7 p11 h9 h13 )_vtrbt + = 2 * Sum ( p6 ) * t ( p6 p11 h9 h13 )_t * i3 ( h7 p6 )_vtrb 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 p11b 24 INTEGER h7b 25 INTEGER h9b 26 INTEGER h13b 27 INTEGER dimc 28 INTEGER l_c_sort 29 INTEGER k_c_sort 30 INTEGER p6b 31 INTEGER p11b_1 32 INTEGER p6b_1 33 INTEGER h9b_1 34 INTEGER h13b_1 35 INTEGER h7b_2 36 INTEGER p6b_2 37 INTEGER dim_common 38 INTEGER dima_sort 39 INTEGER dima 40 INTEGER dimb_sort 41 INTEGER dimb 42 INTEGER l_a_sort 43 INTEGER k_a_sort 44 INTEGER l_a 45 INTEGER k_a 46 INTEGER l_b_sort 47 INTEGER k_b_sort 48 INTEGER l_b 49 INTEGER k_b 50 INTEGER l_c 51 INTEGER k_c 52 EXTERNAL nxtask 53 nprocs = GA_NNODES() 54 count = 0 55 next = nxtask(nprocs,1) 56 DO p11b = noab+1,noab+nvab 57 DO h7b = 1,noab 58 DO h9b = 1,noab 59 DO h13b = h9b,noab 60 IF (next.eq.count) THEN 61 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+p11b- 62 &1)+int_mb(k_spin+h9b-1)+int_mb(k_spin+h13b-1).ne.8)) THEN 63 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+ 64 &h9b-1)+int_mb(k_spin+h13b-1)) THEN 65 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+p11b-1),ieor(int_mb 66 &(k_sym+h9b-1),int_mb(k_sym+h13b-1)))) .eq. ieor(irrep_v,ieor(irrep 67 &_trb,irrep_t))) THEN 68 dimc = int_mb(k_range+h7b-1) * int_mb(k_range+p11b-1) * int_mb(k_r 69 &ange+h9b-1) * int_mb(k_range+h13b-1) 70 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 71 & ERRQUIT('ccsdt_lr_alpha2_6_10_3',0,MA_ERR) 72 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 73 DO p6b = noab+1,noab+nvab 74 IF (int_mb(k_spin+p11b-1)+int_mb(k_spin+p6b-1) .eq. int_mb(k_spin+ 75 &h9b-1)+int_mb(k_spin+h13b-1)) THEN 76 IF (ieor(int_mb(k_sym+p11b-1),ieor(int_mb(k_sym+p6b-1),ieor(int_mb 77 &(k_sym+h9b-1),int_mb(k_sym+h13b-1)))) .eq. irrep_t) THEN 78 CALL TCE_RESTRICTED_4(p11b,p6b,h9b,h13b,p11b_1,p6b_1,h9b_1,h13b_1) 79 CALL TCE_RESTRICTED_2(h7b,p6b,h7b_2,p6b_2) 80 dim_common = int_mb(k_range+p6b-1) 81 dima_sort = int_mb(k_range+p11b-1) * int_mb(k_range+h9b-1) * int_m 82 &b(k_range+h13b-1) 83 dima = dim_common * dima_sort 84 dimb_sort = int_mb(k_range+h7b-1) 85 dimb = dim_common * dimb_sort 86 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 87 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 88 & ERRQUIT('ccsdt_lr_alpha2_6_10_3',1,MA_ERR) 89 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 90 &ccsdt_lr_alpha2_6_10_3',2,MA_ERR) 91 IF ((p6b .le. p11b)) THEN 92 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h13b_ 93 &1 - 1 + noab * (h9b_1 - 1 + noab * (p11b_1 - noab - 1 + nvab * (p6 94 &b_1 - noab - 1))))) 95 CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p6b-1) 96 &,int_mb(k_range+p11b-1),int_mb(k_range+h9b-1),int_mb(k_range+h13b- 97 &1),4,3,2,1,1.0d0) 98 END IF 99 IF ((p11b .lt. p6b)) THEN 100 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h13b_ 101 &1 - 1 + noab * (h9b_1 - 1 + noab * (p6b_1 - noab - 1 + nvab * (p11 102 &b_1 - noab - 1))))) 103 CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p11b-1 104 &),int_mb(k_range+p6b-1),int_mb(k_range+h9b-1),int_mb(k_range+h13b- 105 &1),4,3,1,2,-1.0d0) 106 END IF 107 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_3', 108 &3,MA_ERR) 109 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 110 & ERRQUIT('ccsdt_lr_alpha2_6_10_3',4,MA_ERR) 111 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 112 &ccsdt_lr_alpha2_6_10_3',5,MA_ERR) 113 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 114 & - noab - 1 + nvab * (h7b_2 - 1))) 115 CALL TCE_SORT_2(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h7b-1) 116 &,int_mb(k_range+p6b-1),1,2,1.0d0) 117 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_3', 118 &6,MA_ERR) 119 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 120 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 121 &t),dima_sort) 122 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 123 &0_3',7,MA_ERR) 124 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 125 &0_3',8,MA_ERR) 126 END IF 127 END IF 128 END IF 129 END DO 130 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 131 &ccsdt_lr_alpha2_6_10_3',9,MA_ERR) 132 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h7b-1) 133 &,int_mb(k_range+h13b-1),int_mb(k_range+h9b-1),int_mb(k_range+p11b- 134 &1),1,4,3,2,2.0d0/1.0d0) 135 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h13b 136 &- 1 + noab * (h9b - 1 + noab * (p11b - noab - 1 + nvab * (h7b - 1) 137 &)))) 138 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_3', 139 &10,MA_ERR) 140 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 141 &0_3',11,MA_ERR) 142 END IF 143 END IF 144 END IF 145 next = nxtask(nprocs,1) 146 END IF 147 count = count + 1 148 END DO 149 END DO 150 END DO 151 END DO 152 next = nxtask(-nprocs,1) 153 call GA_SYNC() 154 RETURN 155 END 156