1 SUBROUTINE ccsdt_lr_alpha2_7(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c 2 &_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 i0 ( )_ytratrbv + = 1/4 * Sum ( h13 p10 h11 h12 ) * i1 ( h13 p10 h11 h12 )_ytratrb * v ( h11 h12 h13 p10 )_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 dimc 24 INTEGER l_c_sort 25 INTEGER k_c_sort 26 INTEGER h13b 27 INTEGER p10b 28 INTEGER h11b 29 INTEGER h12b 30 INTEGER h13b_1 31 INTEGER p10b_1 32 INTEGER h11b_1 33 INTEGER h12b_1 34 INTEGER h11b_2 35 INTEGER h12b_2 36 INTEGER h13b_2 37 INTEGER p10b_2 38 INTEGER dim_common 39 INTEGER dima_sort 40 INTEGER dima 41 INTEGER dimb_sort 42 INTEGER dimb 43 INTEGER l_a_sort 44 INTEGER k_a_sort 45 INTEGER l_a 46 INTEGER k_a 47 INTEGER l_b_sort 48 INTEGER k_b_sort 49 INTEGER l_b 50 INTEGER k_b 51 INTEGER nsubh(2) 52 INTEGER isubh 53 INTEGER l_c 54 INTEGER k_c 55 DOUBLE PRECISION FACTORIAL 56 EXTERNAL nxtask 57 EXTERNAL FACTORIAL 58 nprocs = GA_NNODES() 59 count = 0 60 next = nxtask(nprocs,1) 61 IF (next.eq.count) THEN 62 IF (0 .eq. ieor(irrep_y,ieor(irrep_tra,ieor(irrep_trb,irrep_v)))) 63 &THEN 64 dimc = 1 65 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 66 & ERRQUIT('ccsdt_lr_alpha2_7',0,MA_ERR) 67 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 68 DO h13b = 1,noab 69 DO p10b = noab+1,noab+nvab 70 DO h11b = 1,noab 71 DO h12b = h11b,noab 72 IF (int_mb(k_spin+h13b-1)+int_mb(k_spin+p10b-1) .eq. int_mb(k_spin 73 &+h11b-1)+int_mb(k_spin+h12b-1)) THEN 74 IF (ieor(int_mb(k_sym+h13b-1),ieor(int_mb(k_sym+p10b-1),ieor(int_m 75 &b(k_sym+h11b-1),int_mb(k_sym+h12b-1)))) .eq. ieor(irrep_y,ieor(irr 76 &ep_tra,irrep_trb))) THEN 77 CALL TCE_RESTRICTED_4(h13b,p10b,h11b,h12b,h13b_1,p10b_1,h11b_1,h12 78 &b_1) 79 CALL TCE_RESTRICTED_4(h11b,h12b,h13b,p10b,h11b_2,h12b_2,h13b_2,p10 80 &b_2) 81 dim_common = int_mb(k_range+h13b-1) * int_mb(k_range+p10b-1) * int 82 &_mb(k_range+h11b-1) * int_mb(k_range+h12b-1) 83 dima_sort = 1 84 dima = dim_common * dima_sort 85 dimb_sort = 1 86 dimb = dim_common * dimb_sort 87 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 88 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 89 & ERRQUIT('ccsdt_lr_alpha2_7',1,MA_ERR) 90 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 91 &ccsdt_lr_alpha2_7',2,MA_ERR) 92 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h12b_ 93 &1 - 1 + noab * (h11b_1 - 1 + noab * (p10b_1 - noab - 1 + nvab * (h 94 &13b_1 - 1))))) 95 CALL TCE_SORT_4(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+h13b-1 96 &),int_mb(k_range+p10b-1),int_mb(k_range+h11b-1),int_mb(k_range+h12 97 &b-1),4,3,2,1,1.0d0) 98 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha2_7',3,MA_ 99 &ERR) 100 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 101 & ERRQUIT('ccsdt_lr_alpha2_7',4,MA_ERR) 102 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 103 &ccsdt_lr_alpha2_7',5,MA_ERR) 104 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p10b_ 105 &2 - 1 + (noab+nvab) * (h13b_2 - 1 + (noab+nvab) * (h12b_2 - 1 + (n 106 &oab+nvab) * (h11b_2 - 1))))) 107 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h11b-1 108 &),int_mb(k_range+h12b-1),int_mb(k_range+h13b-1),int_mb(k_range+p10 109 &b-1),2,1,4,3,1.0d0) 110 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha2_7',6,MA_ 111 &ERR) 112 nsubh(1) = 1 113 nsubh(2) = 1 114 isubh = 1 115 IF (h11b .eq. h12b) THEN 116 nsubh(isubh) = nsubh(isubh) + 1 117 ELSE 118 isubh = isubh + 1 119 END IF 120 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,2.0d0/FACTORIAL( 121 &nsubh(1))/FACTORIAL(nsubh(2)),dbl_mb(k_a_sort),dim_common,dbl_mb(k 122 &_b_sort),dim_common,1.0d0,dbl_mb(k_c_sort),dima_sort) 123 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_7', 124 &7,MA_ERR) 125 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_7', 126 &8,MA_ERR) 127 END IF 128 END IF 129 END IF 130 END DO 131 END DO 132 END DO 133 END DO 134 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 135 &ccsdt_lr_alpha2_7',9,MA_ERR) 136 CALL TCE_SORT_0(dbl_mb(k_c_sort),dbl_mb(k_c),1.0d0/4.0d0) 137 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),0) 138 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha2_7',10,MA 139 &_ERR) 140 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_7', 141 &11,MA_ERR) 142 END IF 143 next = nxtask(nprocs,1) 144 END IF 145 count = count + 1 146 next = nxtask(-nprocs,1) 147 call GA_SYNC() 148 RETURN 149 END 150