1 SUBROUTINE ccsdt_lr_alpha_offdiag_16_11_3(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 p11 h10 p9 )_ybt + = 1 * Sum ( h4 ) * t ( p11 h4 )_t * i3 ( h2 h4 h10 p9 )_yb 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 p11b 24 INTEGER h2b 25 INTEGER h10b 26 INTEGER p9b 27 INTEGER dimc 28 INTEGER l_c_sort 29 INTEGER k_c_sort 30 INTEGER h4b 31 INTEGER p11b_1 32 INTEGER h4b_1 33 INTEGER h2b_2 34 INTEGER h4b_2 35 INTEGER h10b_2 36 INTEGER p9b_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 p11b = noab+1,noab+nvab 57 DO h2b = 1,noab 58 DO h10b = 1,noab 59 DO p9b = noab+1,noab+nvab 60 IF (next.eq.count) THEN 61 IF ((.not.restricted).or.(int_mb(k_spin+h2b-1)+int_mb(k_spin+p11b- 62 &1)+int_mb(k_spin+h10b-1)+int_mb(k_spin+p9b-1).ne.8)) THEN 63 IF (int_mb(k_spin+h2b-1)+int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+ 64 &h10b-1)+int_mb(k_spin+p9b-1)) THEN 65 IF (ieor(int_mb(k_sym+h2b-1),ieor(int_mb(k_sym+p11b-1),ieor(int_mb 66 &(k_sym+h10b-1),int_mb(k_sym+p9b-1)))) .eq. ieor(irrep_y,ieor(irrep 67 &_b,irrep_t))) THEN 68 dimc = int_mb(k_range+h2b-1) * int_mb(k_range+p11b-1) * int_mb(k_r 69 &ange+h10b-1) * int_mb(k_range+p9b-1) 70 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 71 & ERRQUIT('ccsdt_lr_alpha_offdiag_16_11_3',0,MA_ERR) 72 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 73 DO h4b = 1,noab 74 IF (int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+h4b-1)) THEN 75 IF (ieor(int_mb(k_sym+p11b-1),int_mb(k_sym+h4b-1)) .eq. irrep_t) T 76 &HEN 77 CALL TCE_RESTRICTED_2(p11b,h4b,p11b_1,h4b_1) 78 CALL TCE_RESTRICTED_4(h2b,h4b,h10b,p9b,h2b_2,h4b_2,h10b_2,p9b_2) 79 dim_common = int_mb(k_range+h4b-1) 80 dima_sort = int_mb(k_range+p11b-1) 81 dima = dim_common * dima_sort 82 dimb_sort = int_mb(k_range+h2b-1) * int_mb(k_range+h10b-1) * int_m 83 &b(k_range+p9b-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_16_11_3',1,MA_ERR) 88 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 89 &ccsdt_lr_alpha_offdiag_16_11_3',2,MA_ERR) 90 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h4b_1 91 & - 1 + noab * (p11b_1 - noab - 1))) 92 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p11b-1 93 &),int_mb(k_range+h4b-1),1,2,1.0d0) 94 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 95 &6_11_3',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_16_11_3',4,MA_ERR) 98 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 99 &ccsdt_lr_alpha_offdiag_16_11_3',5,MA_ERR) 100 IF ((h4b .lt. h2b)) THEN 101 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p9b_2 102 & - noab - 1 + nvab * (h10b_2 - 1 + noab * (h2b_2 - 1 + noab * (h4b 103 &_2 - 1))))) 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+h10b-1),int_mb(k_range+p9b-1 106 &),4,3,2,1,-1.0d0) 107 END IF 108 IF ((h2b .le. h4b)) THEN 109 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p9b_2 110 & - noab - 1 + nvab * (h10b_2 - 1 + noab * (h4b_2 - 1 + noab * (h2b 111 &_2 - 1))))) 112 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 113 &,int_mb(k_range+h4b-1),int_mb(k_range+h10b-1),int_mb(k_range+p9b-1 114 &),4,3,1,2,1.0d0) 115 END IF 116 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 117 &6_11_3',6,MA_ERR) 118 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 119 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 120 &t),dima_sort) 121 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 122 &iag_16_11_3',7,MA_ERR) 123 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 124 &iag_16_11_3',8,MA_ERR) 125 END IF 126 END IF 127 END IF 128 END DO 129 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 130 &ccsdt_lr_alpha_offdiag_16_11_3',9,MA_ERR) 131 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p9b-1) 132 &,int_mb(k_range+h10b-1),int_mb(k_range+h2b-1),int_mb(k_range+p11b- 133 &1),3,4,2,1,1.0d0) 134 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p9b - 135 & noab - 1 + nvab * (h10b - 1 + noab * (p11b - noab - 1 + nvab * (h 136 &2b - 1))))) 137 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha_offdiag_1 138 &6_11_3',10,MA_ERR) 139 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha_offd 140 &iag_16_11_3',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