1 SUBROUTINE alpha_2_1_1(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offse 2 &t) 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 ( h2 p1 )_vtrb + = 1 * Sum ( h4 p3 ) * trb ( p3 h4 )_trb * v ( h2 h4 p1 p3 )_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 p1b 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 p1b_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 p1b = 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+p1b-1 59 &).ne.4)) THEN 60 IF (int_mb(k_spin+h2b-1) .eq. int_mb(k_spin+p1b-1)) THEN 61 IF (ieor(int_mb(k_sym+h2b-1),int_mb(k_sym+p1b-1)) .eq. ieor(irrep_ 62 &v,irrep_trb)) THEN 63 dimc = int_mb(k_range+h2b-1) * int_mb(k_range+p1b-1) 64 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 65 & ERRQUIT('alpha_2_1_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_trb) 71 &THEN 72 CALL TCE_RESTRICTED_2(p3b,h4b,p3b_1,h4b_1) 73 CALL TCE_RESTRICTED_4(h2b,h4b,p1b,p3b,h2b_2,h4b_2,p1b_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+p1b-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('alpha_2_1_1',1,MA_ERR) 82 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 83 &alpha_2_1_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('alpha_2_1_1',3,MA_ERR) 89 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 90 & ERRQUIT('alpha_2_1_1',4,MA_ERR) 91 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 92 &alpha_2_1_1',5,MA_ERR) 93 IF ((h4b .lt. h2b) .and. (p3b .lt. p1b)) THEN 94 if(.not.intorb) then 95 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p1b_2 96 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 97 &+nvab) * (h4b_2 - 1))))) 98 else 99 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 100 &(p1b_2 101 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 102 &+nvab) * (h4b_2 - 1)))),p1b_2,p3b_2,h2b_2,h4b_2) 103 end if 104 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 105 &,int_mb(k_range+h2b-1),int_mb(k_range+p3b-1),int_mb(k_range+p1b-1) 106 &,4,2,1,3,1.0d0) 107 END IF 108 IF ((h4b .lt. h2b) .and. (p1b .le. p3b)) THEN 109 if(.not.intorb) then 110 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 111 & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 112 &+nvab) * (h4b_2 - 1))))) 113 else 114 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 115 &(p3b_2 116 & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab 117 &+nvab) * (h4b_2 - 1)))),p3b_2,p1b_2,h2b_2,h4b_2) 118 end if 119 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1) 120 &,int_mb(k_range+h2b-1),int_mb(k_range+p1b-1),int_mb(k_range+p3b-1) 121 &,3,2,1,4,-1.0d0) 122 END IF 123 IF ((h2b .le. h4b) .and. (p3b .lt. p1b)) THEN 124 if(.not.intorb) then 125 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p1b_2 126 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 127 &+nvab) * (h2b_2 - 1))))) 128 else 129 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 130 &(p1b_2 131 & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 132 &+nvab) * (h2b_2 - 1)))),p1b_2,p3b_2,h4b_2,h2b_2) 133 end if 134 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 135 &,int_mb(k_range+h4b-1),int_mb(k_range+p3b-1),int_mb(k_range+p1b-1) 136 &,4,1,2,3,-1.0d0) 137 END IF 138 IF ((h2b .le. h4b) .and. (p1b .le. p3b)) THEN 139 if(.not.intorb) then 140 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 141 & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 142 &+nvab) * (h2b_2 - 1))))) 143 else 144 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 145 &(p3b_2 146 & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab 147 &+nvab) * (h2b_2 - 1)))),p3b_2,p1b_2,h4b_2,h2b_2) 148 end if 149 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 150 &,int_mb(k_range+h4b-1),int_mb(k_range+p1b-1),int_mb(k_range+p3b-1) 151 &,3,1,2,4,1.0d0) 152 END IF 153 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('alpha_2_1_1',6,MA_ERR) 154 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 155 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 156 &t),dima_sort) 157 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('alpha_2_1_1',7,MA_E 158 &RR) 159 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('alpha_2_1_1',8,MA_E 160 &RR) 161 END IF 162 END IF 163 END IF 164 END DO 165 END DO 166 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 167 &alpha_2_1_1',9,MA_ERR) 168 CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p1b-1) 169 &,int_mb(k_range+h2b-1),2,1,1.0d0) 170 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p1b - 171 & noab - 1 + nvab * (h2b - 1))) 172 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('alpha_2_1_1',10,MA_ERR) 173 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('alpha_2_1_1',11,MA_ 174 &ERR) 175 END IF 176 END IF 177 END IF 178 next = NXTASK(nprocs,1) 179 END IF 180 count = count + 1 181 END DO 182 END DO 183 next = NXTASK(-nprocs,1) 184 call GA_SYNC() 185 RETURN 186 END 187