1 SUBROUTINE alpha_2_7(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offset) 2C $Id$ 3C This is a Fortran77 program generated by Tensor Contraction Engine v.1.0 4C Copyright (c) Battelle & Pacific Northwest National Laboratory (2002) 5C i0 ( )_ytratrbv + = 1/4 * Sum ( h7 p10 h9 h11 ) * i1 ( h7 p10 h9 h11 )_ytratrb * v ( h9 h11 h7 p10 )_v 6 IMPLICIT NONE 7#include "global.fh" 8#include "mafdecls.fh" 9#include "sym.fh" 10#include "errquit.fh" 11#include "tce.fh" 12 INTEGER d_a 13 INTEGER k_a_offset 14 INTEGER d_b 15 INTEGER k_b_offset 16 INTEGER d_c 17 INTEGER k_c_offset 18 INTEGER NXTASK 19 INTEGER next 20 INTEGER nprocs 21 INTEGER count 22 INTEGER dimc 23 INTEGER l_c_sort 24 INTEGER k_c_sort 25 INTEGER h7b 26 INTEGER p10b 27 INTEGER h9b 28 INTEGER h11b 29 INTEGER h7b_1 30 INTEGER p10b_1 31 INTEGER h9b_1 32 INTEGER h11b_1 33 INTEGER h9b_2 34 INTEGER h11b_2 35 INTEGER h7b_2 36 INTEGER p10b_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 nsubh(2) 51 INTEGER isubh 52 INTEGER l_c 53 INTEGER k_c 54 DOUBLE PRECISION FACTORIAL 55 EXTERNAL NXTASK 56 EXTERNAL FACTORIAL 57 nprocs = GA_NNODES() 58 count = 0 59 next = NXTASK(nprocs,1) 60 IF (next.eq.count) THEN 61 IF (0 .eq. ieor(irrep_y,ieor(irrep_tra,ieor(irrep_trb,irrep_v)))) 62 &THEN 63 dimc = 1 64 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 65 & ERRQUIT('alpha_2_7',0,MA_ERR) 66 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 67 DO h7b = 1,noab 68 DO p10b = noab+1,noab+nvab 69 DO h9b = 1,noab 70 DO h11b = h9b,noab 71 IF (int_mb(k_spin+h7b-1)+int_mb(k_spin+p10b-1) .eq. int_mb(k_spin+ 72 &h9b-1)+int_mb(k_spin+h11b-1)) THEN 73 IF (ieor(int_mb(k_sym+h7b-1),ieor(int_mb(k_sym+p10b-1),ieor(int_mb 74 &(k_sym+h9b-1),int_mb(k_sym+h11b-1)))) .eq. ieor(irrep_y,ieor(irrep 75 &_tra,irrep_trb))) THEN 76 CALL TCE_RESTRICTED_4(h7b,p10b,h9b,h11b,h7b_1,p10b_1,h9b_1,h11b_1) 77 CALL TCE_RESTRICTED_4(h9b,h11b,h7b,p10b,h9b_2,h11b_2,h7b_2,p10b_2) 78 dim_common = int_mb(k_range+h7b-1) * int_mb(k_range+p10b-1) * int_ 79 &mb(k_range+h9b-1) * int_mb(k_range+h11b-1) 80 dima_sort = 1 81 dima = dim_common * dima_sort 82 dimb_sort = 1 83 dimb = dim_common * dimb_sort 84 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 85 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 86 & ERRQUIT('alpha_2_7',1,MA_ERR) 87 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 88 &alpha_2_7',2,MA_ERR) 89 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h11b_ 90 &1 - 1 + noab * (h9b_1 - 1 + noab * (p10b_1 - noab - 1 + nvab * (h7 91 &b_1 - 1))))) 92 CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+h7b-1) 93 &,int_mb(k_range+p10b-1),int_mb(k_range+h9b-1),int_mb(k_range+h11b- 94 &1),4,3,2,1,1.0d0) 95 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('alpha_2_7',3,MA_ERR) 96 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 97 & ERRQUIT('alpha_2_7',4,MA_ERR) 98 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 99 &alpha_2_7',5,MA_ERR) 100 if(.not.intorb) then 101 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p10b_ 102 &2 - 1 + (noab+nvab) * (h7b_2 - 1 + (noab+nvab) * (h11b_2 - 1 + (no 103 &ab+nvab) * (h9b_2 - 1))))) 104 else 105 CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset), 106 &(p10b_ 107 &2 - 1 + (noab+nvab) * (h7b_2 - 1 + (noab+nvab) * (h11b_2 - 1 + (no 108 &ab+nvab) * (h9b_2 - 1)))),p10b_2,h7b_2,h11b_2,h9b_2) 109 end if 110 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h9b-1) 111 &,int_mb(k_range+h11b-1),int_mb(k_range+h7b-1),int_mb(k_range+p10b- 112 &1),2,1,4,3,1.0d0) 113 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('alpha_2_7',6,MA_ERR) 114 nsubh(1) = 1 115 nsubh(2) = 1 116 isubh = 1 117 IF (h9b .eq. h11b) THEN 118 nsubh(isubh) = nsubh(isubh) + 1 119 ELSE 120 isubh = isubh + 1 121 END IF 122 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,2.0d0/FACTORIAL( 123 &nsubh(1))/FACTORIAL(nsubh(2)),dbl_mb(k_a_sort),dim_common,dbl_mb(k 124 &_b_sort),dim_common,1.0d0,dbl_mb(k_c_sort),dima_sort) 125 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('alpha_2_7',7,MA_ERR 126 &) 127 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('alpha_2_7',8,MA_ERR 128 &) 129 END IF 130 END IF 131 END IF 132 END DO 133 END DO 134 END DO 135 END DO 136 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 137 &alpha_2_7',9,MA_ERR) 138 CALL TCE_SORT_0(dbl_mb(k_c_sort),dbl_mb(k_c),1.0d0/4.0d0) 139 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),0) 140 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('alpha_2_7',10,MA_ERR) 141 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('alpha_2_7',11,MA_ER 142 &R) 143 END IF 144 next = NXTASK(nprocs,1) 145 END IF 146 count = count + 1 147 next = NXTASK(-nprocs,1) 148 call GA_SYNC() 149 RETURN 150 END 151