1 SUBROUTINE ccsdt_lr_alpha_offdiag_13_15_1(d_a,k_a_offset,d_b,k_b_o 2 &ffset,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 i2 ( h2 h13 h11 h12 )_ycb + = 1 * Sum ( p3 ) * b ( p3 h11 )_b * i3 ( h2 h13 h12 p3 )_yc 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 h13b 25 INTEGER h11b 26 INTEGER h12b 27 INTEGER dimc 28 INTEGER l_c_sort 29 INTEGER k_c_sort 30 INTEGER p3b 31 INTEGER p3b_1 32 INTEGER h11b_1 33 INTEGER h2b_2 34 INTEGER h13b_2 35 INTEGER h12b_2 36 INTEGER p3b_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 l_c 51 INTEGER k_c 52 EXTERNAL nxtask 53 nprocs = GA_NNODES() 54 count = 0 55 next = nxtask(nprocs,1) 56 DO h2b = 1,noab 57 DO h13b = h2b,noab 58 DO h11b = 1,noab 59 DO h12b = 1,noab 60 IF (next.eq.count) THEN 61 IF ((.not.restricted).or.(int_mb(k_spin+h2b-1)+int_mb(k_spin+h13b- 62 &1)+int_mb(k_spin+h11b-1)+int_mb(k_spin+h12b-1).ne.8)) THEN 63 IF (int_mb(k_spin+h2b-1)+int_mb(k_spin+h13b-1) .eq. int_mb(k_spin+ 64 &h11b-1)+int_mb(k_spin+h12b-1)) THEN 65 IF (ieor(int_mb(k_sym+h2b-1),ieor(int_mb(k_sym+h13b-1),ieor(int_mb 66 &(k_sym+h11b-1),int_mb(k_sym+h12b-1)))) .eq. ieor(irrep_y,ieor(irre 67 &p_c,irrep_b))) THEN 68 dimc = int_mb(k_range+h2b-1) * int_mb(k_range+h13b-1) * int_mb(k_r 69 &ange+h11b-1) * int_mb(k_range+h12b-1) 70 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 71 & ERRQUIT('ccsdt_lr_alpha_offdiag_13_15_1',0,MA_ERR) 72 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 73 DO p3b = noab+1,noab+nvab 74 IF (int_mb(k_spin+p3b-1) .eq. int_mb(k_spin+h11b-1)) THEN 75 IF (ieor(int_mb(k_sym+p3b-1),int_mb(k_sym+h11b-1)) .eq. irrep_b) T 76 &HEN 77 CALL TCE_RESTRICTED_2(p3b,h11b,p3b_1,h11b_1) 78 CALL TCE_RESTRICTED_4(h2b,h13b,h12b,p3b,h2b_2,h13b_2,h12b_2,p3b_2) 79 dim_common = int_mb(k_range+p3b-1) 80 dima_sort = int_mb(k_range+h11b-1) 81 dima = dim_common * dima_sort 82 dimb_sort = int_mb(k_range+h2b-1) * int_mb(k_range+h13b-1) * int_m 83 &b(k_range+h12b-1) 84 dimb = dim_common * dimb_sort 85 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 86 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 87 & ERRQUIT('ccsdt_lr_alpha_offdiag_13_15_1',1,MA_ERR) 88 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 89 &ccsdt_lr_alpha_offdiag_13_15_1',2,MA_ERR) 90 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h11b_ 91 &1 - 1 + noab * (p3b_1 - noab - 1))) 92 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p3b-1) 93 &,int_mb(k_range+h11b-1),2,1,1.0d0) 94 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 95 &3_15_1',3,MA_ERR) 96 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 97 & ERRQUIT('ccsdt_lr_alpha_offdiag_13_15_1',4,MA_ERR) 98 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 99 &ccsdt_lr_alpha_offdiag_13_15_1',5,MA_ERR) 100 IF ((h12b .le. p3b)) THEN 101 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2 102 & - noab - 1 + nvab * (h12b_2 - 1 + noab * (h13b_2 - 1 + noab * (h2 103 &b_2 - 1))))) 104 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 105 &,int_mb(k_range+h13b-1),int_mb(k_range+h12b-1),int_mb(k_range+p3b- 106 &1),3,2,1,4,1.0d0) 107 END IF 108 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 109 &3_15_1',6,MA_ERR) 110 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 111 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 112 &t),dima_sort) 113 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 114 &iag_13_15_1',7,MA_ERR) 115 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 116 &iag_13_15_1',8,MA_ERR) 117 END IF 118 END IF 119 END IF 120 END DO 121 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 122 &ccsdt_lr_alpha_offdiag_13_15_1',9,MA_ERR) 123 IF ((h11b .le. h12b)) THEN 124 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h12b-1 125 &),int_mb(k_range+h13b-1),int_mb(k_range+h2b-1),int_mb(k_range+h11b 126 &-1),3,2,4,1,1.0d0/2.0d0) 127 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h12b 128 &- 1 + noab * (h11b - 1 + noab * (h13b - 1 + noab * (h2b - 1))))) 129 END IF 130 IF ((h12b .le. h11b)) THEN 131 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h12b-1 132 &),int_mb(k_range+h13b-1),int_mb(k_range+h2b-1),int_mb(k_range+h11b 133 &-1),3,2,1,4,-1.0d0/2.0d0) 134 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h11b 135 &- 1 + noab * (h12b - 1 + noab * (h13b - 1 + noab * (h2b - 1))))) 136 END IF 137 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 138 &3_15_1',10,MA_ERR) 139 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 140 &iag_13_15_1',11,MA_ERR) 141 END IF 142 END IF 143 END IF 144 next = nxtask(nprocs,1) 145 END IF 146 count = count + 1 147 END DO 148 END DO 149 END DO 150 END DO 151 next = nxtask(-nprocs,1) 152 call GA_SYNC() 153 RETURN 154 END 155