1 SUBROUTINE ccsdt_lr_alpha2_6_10_6_1(d_a,k_a_offset,d_b,k_b_offset, 2 &d_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 i3 ( h7 p6 )_vt + = -1 * Sum ( h4 p3 ) * t ( p3 h4 )_t * v ( h4 h7 p3 p6 )_v 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 h7b 24 INTEGER p6b 25 INTEGER dimc 26 INTEGER l_c_sort 27 INTEGER k_c_sort 28 INTEGER p3b 29 INTEGER h4b 30 INTEGER p3b_1 31 INTEGER h4b_1 32 INTEGER h7b_2 33 INTEGER h4b_2 34 INTEGER p6b_2 35 INTEGER p3b_2 36 INTEGER dim_common 37 INTEGER dima_sort 38 INTEGER dima 39 INTEGER dimb_sort 40 INTEGER dimb 41 INTEGER l_a_sort 42 INTEGER k_a_sort 43 INTEGER l_a 44 INTEGER k_a 45 INTEGER l_b_sort 46 INTEGER k_b_sort 47 INTEGER l_b 48 INTEGER k_b 49 INTEGER l_c 50 INTEGER k_c 51 EXTERNAL nxtask 52 nprocs = GA_NNODES() 53 count = 0 54 next = nxtask(nprocs,1) 55 DO h7b = 1,noab 56 DO p6b = noab+1,noab+nvab 57 IF (next.eq.count) THEN 58 IF ((.not.restricted).or.(int_mb(k_spin+h7b-1)+int_mb(k_spin+p6b-1 59 &).ne.4)) THEN 60 IF (int_mb(k_spin+h7b-1) .eq. int_mb(k_spin+p6b-1)) THEN 61 IF (ieor(int_mb(k_sym+h7b-1),int_mb(k_sym+p6b-1)) .eq. ieor(irrep_ 62 &v,irrep_t)) THEN 63 dimc = int_mb(k_range+h7b-1) * int_mb(k_range+p6b-1) 64 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 65 & ERRQUIT('ccsdt_lr_alpha2_6_10_6_1',0,MA_ERR) 66 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 67 DO p3b = noab+1,noab+nvab 68 DO h4b = 1,noab 69 IF (int_mb(k_spin+p3b-1) .eq. int_mb(k_spin+h4b-1)) THEN 70 IF (ieor(int_mb(k_sym+p3b-1),int_mb(k_sym+h4b-1)) .eq. irrep_t) TH 71 &EN 72 CALL TCE_RESTRICTED_2(p3b,h4b,p3b_1,h4b_1) 73 CALL TCE_RESTRICTED_4(h7b,h4b,p6b,p3b,h7b_2,h4b_2,p6b_2,p3b_2) 74 dim_common = int_mb(k_range+p3b-1) * int_mb(k_range+h4b-1) 75 dima_sort = 1 76 dima = dim_common * dima_sort 77 dimb_sort = int_mb(k_range+h7b-1) * int_mb(k_range+p6b-1) 78 dimb = dim_common * dimb_sort 79 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 80 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 81 & ERRQUIT('ccsdt_lr_alpha2_6_10_6_1',1,MA_ERR) 82 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 83 &ccsdt_lr_alpha2_6_10_6_1',2,MA_ERR) 84 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h4b_1 85 & - 1 + noab * (p3b_1 - noab - 1))) 86 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p3b-1) 87 &,int_mb(k_range+h4b-1),2,1,1.0d0) 88 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_6_1 89 &',3,MA_ERR) 90 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 91 & ERRQUIT('ccsdt_lr_alpha2_6_10_6_1',4,MA_ERR) 92 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 93 &ccsdt_lr_alpha2_6_10_6_1',5,MA_ERR) 94 IF ((h4b .le. h7b) .and. (p3b .le. p6b)) THEN 95 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 96 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h7b_2 - 1 + (noab 97 &+nvab) * (h4b_2 - 1))))) 98 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 99 &,int_mb(k_range+h7b-1),int_mb(k_range+p3b-1),int_mb(k_range+p6b-1) 100 &,4,2,1,3,1.0d0) 101 END IF 102 IF ((h4b .le. h7b) .and. (p6b .lt. p3b)) THEN 103 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 104 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h7b_2 - 1 + (noab 105 &+nvab) * (h4b_2 - 1))))) 106 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 107 &,int_mb(k_range+h7b-1),int_mb(k_range+p6b-1),int_mb(k_range+p3b-1) 108 &,3,2,1,4,-1.0d0) 109 END IF 110 IF ((h7b .lt. h4b) .and. (p3b .le. p6b)) THEN 111 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 112 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 113 &+nvab) * (h7b_2 - 1))))) 114 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h7b-1) 115 &,int_mb(k_range+h4b-1),int_mb(k_range+p3b-1),int_mb(k_range+p6b-1) 116 &,4,1,2,3,-1.0d0) 117 END IF 118 IF ((h7b .lt. h4b) .and. (p6b .lt. p3b)) THEN 119 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 120 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 121 &+nvab) * (h7b_2 - 1))))) 122 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h7b-1) 123 &,int_mb(k_range+h4b-1),int_mb(k_range+p6b-1),int_mb(k_range+p3b-1) 124 &,3,1,2,4,1.0d0) 125 END IF 126 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_6_1 127 &',6,MA_ERR) 128 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 129 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 130 &t),dima_sort) 131 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 132 &0_6_1',7,MA_ERR) 133 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 134 &0_6_1',8,MA_ERR) 135 END IF 136 END IF 137 END IF 138 END DO 139 END DO 140 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 141 &ccsdt_lr_alpha2_6_10_6_1',9,MA_ERR) 142 CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p6b-1) 143 &,int_mb(k_range+h7b-1),2,1,-1.0d0) 144 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p6b - 145 & noab - 1 + nvab * (h7b - 1))) 146 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha2_6_10_6_1 147 &',10,MA_ERR) 148 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_1 149 &0_6_1',11,MA_ERR) 150 END IF 151 END IF 152 END IF 153 next = nxtask(nprocs,1) 154 END IF 155 count = count + 1 156 END DO 157 END DO 158 next = nxtask(-nprocs,1) 159 call GA_SYNC() 160 RETURN 161 END 162