1 SUBROUTINE ccsdt_lambda2_14_1(d_a,k_a_offset,d_b,k_b_offset,d_c,k_ 2 &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 i1 ( h3 h4 h5 p1 )_yt + = -1 * Sum ( p6 ) * t ( p6 h5 )_t * y ( h3 h4 p1 p6 )_y 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 h3b 24 INTEGER h4b 25 INTEGER p1b 26 INTEGER h5b 27 INTEGER dimc 28 INTEGER l_c_sort 29 INTEGER k_c_sort 30 INTEGER p6b 31 INTEGER p6b_1 32 INTEGER h5b_1 33 INTEGER h3b_2 34 INTEGER h4b_2 35 INTEGER p1b_2 36 INTEGER p6b_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 h3b = 1,noab 57 DO h4b = h3b,noab 58 DO p1b = noab+1,noab+nvab 59 DO h5b = 1,noab 60 IF (next.eq.count) THEN 61 IF ((.not.restricted).or.(int_mb(k_spin+h3b-1)+int_mb(k_spin+h4b-1 62 &)+int_mb(k_spin+p1b-1)+int_mb(k_spin+h5b-1).ne.8)) THEN 63 IF (int_mb(k_spin+h3b-1)+int_mb(k_spin+h4b-1) .eq. int_mb(k_spin+p 64 &1b-1)+int_mb(k_spin+h5b-1)) THEN 65 IF (ieor(int_mb(k_sym+h3b-1),ieor(int_mb(k_sym+h4b-1),ieor(int_mb( 66 &k_sym+p1b-1),int_mb(k_sym+h5b-1)))) .eq. ieor(irrep_y,irrep_t)) TH 67 &EN 68 dimc = int_mb(k_range+h3b-1) * int_mb(k_range+h4b-1) * int_mb(k_ra 69 &nge+p1b-1) * int_mb(k_range+h5b-1) 70 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 71 & ERRQUIT('ccsdt_lambda2_14_1',0,MA_ERR) 72 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 73 DO p6b = noab+1,noab+nvab 74 IF (int_mb(k_spin+p6b-1) .eq. int_mb(k_spin+h5b-1)) THEN 75 IF (ieor(int_mb(k_sym+p6b-1),int_mb(k_sym+h5b-1)) .eq. irrep_t) TH 76 &EN 77 CALL TCE_RESTRICTED_2(p6b,h5b,p6b_1,h5b_1) 78 CALL TCE_RESTRICTED_4(h3b,h4b,p1b,p6b,h3b_2,h4b_2,p1b_2,p6b_2) 79 dim_common = int_mb(k_range+p6b-1) 80 dima_sort = int_mb(k_range+h5b-1) 81 dima = dim_common * dima_sort 82 dimb_sort = int_mb(k_range+h3b-1) * int_mb(k_range+h4b-1) * int_mb 83 &(k_range+p1b-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_lambda2_14_1',1,MA_ERR) 88 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 89 &ccsdt_lambda2_14_1',2,MA_ERR) 90 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h5b_1 91 & - 1 + noab * (p6b_1 - noab - 1))) 92 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p6b-1) 93 &,int_mb(k_range+h5b-1),2,1,1.0d0) 94 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lambda2_14_1',3,MA 95 &_ERR) 96 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 97 & ERRQUIT('ccsdt_lambda2_14_1',4,MA_ERR) 98 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 99 &ccsdt_lambda2_14_1',5,MA_ERR) 100 IF ((p6b .lt. p1b)) THEN 101 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p1b_2 102 & - noab - 1 + nvab * (p6b_2 - noab - 1 + nvab * (h4b_2 - 1 + noab 103 &* (h3b_2 - 1))))) 104 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h3b-1) 105 &,int_mb(k_range+h4b-1),int_mb(k_range+p6b-1),int_mb(k_range+p1b-1) 106 &,4,2,1,3,-1.0d0) 107 END IF 108 IF ((p1b .le. p6b)) THEN 109 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p6b_2 110 & - noab - 1 + nvab * (p1b_2 - noab - 1 + nvab * (h4b_2 - 1 + noab 111 &* (h3b_2 - 1))))) 112 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h3b-1) 113 &,int_mb(k_range+h4b-1),int_mb(k_range+p1b-1),int_mb(k_range+p6b-1) 114 &,3,2,1,4,1.0d0) 115 END IF 116 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lambda2_14_1',6,MA 117 &_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_lambda2_14_1' 122 &,7,MA_ERR) 123 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lambda2_14_1' 124 &,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_lambda2_14_1',9,MA_ERR) 131 CALL TCE_SORT_4(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p1b-1) 132 &,int_mb(k_range+h4b-1),int_mb(k_range+h3b-1),int_mb(k_range+h5b-1) 133 &,3,2,1,4,-1.0d0) 134 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h5b - 135 & 1 + noab * (p1b - noab - 1 + nvab * (h4b - 1 + noab * (h3b - 1))) 136 &)) 137 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lambda2_14_1',10,M 138 &A_ERR) 139 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lambda2_14_1' 140 &,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