1 SUBROUTINE ccsdt_lr_alpha2_6_4_1(d_a,k_a_offset,d_b,k_b_offset,d_c 2 &,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 ( p11 p2 )_vtrb + = -1 * Sum ( h6 p5 ) * trb ( p5 h6 )_trb * v ( h6 p11 p2 p5 )_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 p11b 24 INTEGER p2b 25 INTEGER dimc 26 INTEGER l_c_sort 27 INTEGER k_c_sort 28 INTEGER p5b 29 INTEGER h6b 30 INTEGER p5b_1 31 INTEGER h6b_1 32 INTEGER p11b_2 33 INTEGER h6b_2 34 INTEGER p2b_2 35 INTEGER p5b_2 36 INTEGER dim_common 37 INTEGER dima_sort 38 INTEGER dima 39 INTEGER dimb_sort 40 INTEGER dimb 41 INTEGER l_a_sort 42 INTEGER k_a_sort 43 INTEGER l_a 44 INTEGER k_a 45 INTEGER l_b_sort 46 INTEGER k_b_sort 47 INTEGER l_b 48 INTEGER k_b 49 INTEGER l_c 50 INTEGER k_c 51 EXTERNAL nxtask 52 nprocs = GA_NNODES() 53 count = 0 54 next = nxtask(nprocs,1) 55 DO p11b = noab+1,noab+nvab 56 DO p2b = noab+1,noab+nvab 57 IF (next.eq.count) THEN 58 IF ((.not.restricted).or.(int_mb(k_spin+p11b-1)+int_mb(k_spin+p2b- 59 &1).ne.4)) THEN 60 IF (int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+p2b-1)) THEN 61 IF (ieor(int_mb(k_sym+p11b-1),int_mb(k_sym+p2b-1)) .eq. ieor(irrep 62 &_v,irrep_trb)) THEN 63 dimc = int_mb(k_range+p11b-1) * int_mb(k_range+p2b-1) 64 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 65 & ERRQUIT('ccsdt_lr_alpha2_6_4_1',0,MA_ERR) 66 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 67 DO p5b = noab+1,noab+nvab 68 DO h6b = 1,noab 69 IF (int_mb(k_spin+p5b-1) .eq. int_mb(k_spin+h6b-1)) THEN 70 IF (ieor(int_mb(k_sym+p5b-1),int_mb(k_sym+h6b-1)) .eq. irrep_trb) 71 &THEN 72 CALL TCE_RESTRICTED_2(p5b,h6b,p5b_1,h6b_1) 73 CALL TCE_RESTRICTED_4(p11b,h6b,p2b,p5b,p11b_2,h6b_2,p2b_2,p5b_2) 74 dim_common = int_mb(k_range+p5b-1) * int_mb(k_range+h6b-1) 75 dima_sort = 1 76 dima = dim_common * dima_sort 77 dimb_sort = int_mb(k_range+p11b-1) * int_mb(k_range+p2b-1) 78 dimb = dim_common * dimb_sort 79 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 80 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 81 & ERRQUIT('ccsdt_lr_alpha2_6_4_1',1,MA_ERR) 82 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 83 &ccsdt_lr_alpha2_6_4_1',2,MA_ERR) 84 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h6b_1 85 & - 1 + noab * (p5b_1 - noab - 1))) 86 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p5b-1) 87 &,int_mb(k_range+h6b-1),2,1,1.0d0) 88 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4_1',3 89 &,MA_ERR) 90 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 91 & ERRQUIT('ccsdt_lr_alpha2_6_4_1',4,MA_ERR) 92 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 93 &ccsdt_lr_alpha2_6_4_1',5,MA_ERR) 94 IF ((h6b .le. p11b) .and. (p5b .lt. p2b)) THEN 95 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p2b_2 96 & - 1 + (noab+nvab) * (p5b_2 - 1 + (noab+nvab) * (p11b_2 - 1 + (noa 97 &b+nvab) * (h6b_2 - 1))))) 98 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h6b-1) 99 &,int_mb(k_range+p11b-1),int_mb(k_range+p5b-1),int_mb(k_range+p2b-1 100 &),4,2,1,3,-1.0d0) 101 END IF 102 IF ((h6b .le. p11b) .and. (p2b .le. p5b)) THEN 103 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p5b_2 104 & - 1 + (noab+nvab) * (p2b_2 - 1 + (noab+nvab) * (p11b_2 - 1 + (noa 105 &b+nvab) * (h6b_2 - 1))))) 106 CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h6b-1) 107 &,int_mb(k_range+p11b-1),int_mb(k_range+p2b-1),int_mb(k_range+p5b-1 108 &),3,2,1,4,1.0d0) 109 END IF 110 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4_1',6 111 &,MA_ERR) 112 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 113 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 114 &t),dima_sort) 115 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4 116 &_1',7,MA_ERR) 117 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4 118 &_1',8,MA_ERR) 119 END IF 120 END IF 121 END IF 122 END DO 123 END DO 124 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 125 &ccsdt_lr_alpha2_6_4_1',9,MA_ERR) 126 CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p2b-1) 127 &,int_mb(k_range+p11b-1),2,1,-1.0d0) 128 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p2b - 129 & noab - 1 + nvab * (p11b - noab - 1))) 130 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4_1',1 131 &0,MA_ERR) 132 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_6_4 133 &_1',11,MA_ERR) 134 END IF 135 END IF 136 END IF 137 next = nxtask(nprocs,1) 138 END IF 139 count = count + 1 140 END DO 141 END DO 142 next = nxtask(-nprocs,1) 143 call GA_SYNC() 144 RETURN 145 END 146