1 SUBROUTINE beta_3_4_10_7_1(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_o 2 &ffset) 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 ( h2 p6 )_vtra + = 1 * Sum ( h4 p3 ) * tra ( p3 h4 )_tra * v ( h2 h4 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 h2b 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 h2b_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 h2b = 1,noab 56 DO p6b = noab+1,noab+nvab 57 IF (next.eq.count) THEN 58 IF ((.not.restricted).or.(int_mb(k_spin+h2b-1)+int_mb(k_spin+p6b-1 59 &).ne.4)) THEN 60 IF (int_mb(k_spin+h2b-1) .eq. int_mb(k_spin+p6b-1)) THEN 61 IF (ieor(int_mb(k_sym+h2b-1),int_mb(k_sym+p6b-1)) .eq. ieor(irrep_ 62 &v,irrep_tra)) THEN 63 dimc = int_mb(k_range+h2b-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('beta_3_4_10_7_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_tra) 71 &THEN 72 CALL TCE_RESTRICTED_2(p3b,h4b,p3b_1,h4b_1) 73 CALL TCE_RESTRICTED_4(h2b,h4b,p6b,p3b,h2b_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+h2b-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('beta_3_4_10_7_1',1,MA_ERR) 82 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 83 &beta_3_4_10_7_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('beta_3_4_10_7_1',3,MA_ER 89 &R) 90 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 91 & ERRQUIT('beta_3_4_10_7_1',4,MA_ERR) 92 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 93 &beta_3_4_10_7_1',5,MA_ERR) 94 IF ((h4b .lt. h2b) .and. (p3b .le. p6b)) THEN 95 if(.not.intorb) then 96 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 97 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 98 &+nvab) * (h4b_2 - 1))))) 99 else 100 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 101 &(p6b_2 102 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 103 &+nvab) * (h4b_2 - 1)))),p6b_2,p3b_2,h2b_2,h4b_2) 104 end if 105 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 106 &,int_mb(k_range+h2b-1),int_mb(k_range+p3b-1),int_mb(k_range+p6b-1) 107 &,4,2,1,3,-1.0d0) 108 END IF 109 IF ((h4b .lt. h2b) .and. (p6b .lt. p3b)) THEN 110 if(.not.intorb) then 111 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 112 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 113 &+nvab) * (h4b_2 - 1))))) 114 else 115 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 116 &(p3b_2 117 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 118 &+nvab) * (h4b_2 - 1)))),p3b_2,p6b_2,h2b_2,h4b_2) 119 end if 120 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 121 &,int_mb(k_range+h2b-1),int_mb(k_range+p6b-1),int_mb(k_range+p3b-1) 122 &,3,2,1,4,1.0d0) 123 END IF 124 IF ((h2b .le. h4b) .and. (p3b .le. p6b)) THEN 125 if(.not.intorb) then 126 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 127 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 128 &+nvab) * (h2b_2 - 1))))) 129 else 130 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 131 &(p6b_2 132 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 133 &+nvab) * (h2b_2 - 1)))),p6b_2,p3b_2,h4b_2,h2b_2) 134 end if 135 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 136 &,int_mb(k_range+h4b-1),int_mb(k_range+p3b-1),int_mb(k_range+p6b-1) 137 &,4,1,2,3,1.0d0) 138 END IF 139 IF ((h2b .le. h4b) .and. (p6b .lt. p3b)) THEN 140 if(.not.intorb) then 141 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 142 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 143 &+nvab) * (h2b_2 - 1))))) 144 else 145 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 146 &(p3b_2 147 & - 1 + (noab+nvab) * (p6b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 148 &+nvab) * (h2b_2 - 1)))),p3b_2,p6b_2,h4b_2,h2b_2) 149 end if 150 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 151 &,int_mb(k_range+h4b-1),int_mb(k_range+p6b-1),int_mb(k_range+p3b-1) 152 &,3,1,2,4,-1.0d0) 153 END IF 154 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('beta_3_4_10_7_1',6,MA_ER 155 &R) 156 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 157 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 158 &t),dima_sort) 159 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('beta_3_4_10_7_1',7, 160 &MA_ERR) 161 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('beta_3_4_10_7_1',8, 162 &MA_ERR) 163 END IF 164 END IF 165 END IF 166 END DO 167 END DO 168 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 169 &beta_3_4_10_7_1',9,MA_ERR) 170 CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p6b-1) 171 &,int_mb(k_range+h2b-1),2,1,1.0d0) 172 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p6b - 173 & noab - 1 + nvab * (h2b - 1))) 174 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('beta_3_4_10_7_1',10,MA_E 175 &RR) 176 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('beta_3_4_10_7_1',11 177 &,MA_ERR) 178 END IF 179 END IF 180 END IF 181 next = nxtask(nprocs,1) 182 END IF 183 count = count + 1 184 END DO 185 END DO 186 next = nxtask(-nprocs,1) 187 call GA_SYNC() 188 RETURN 189 END 190