1 SUBROUTINE ccsdt_lr_alpha2_9_29_1(d_a,k_a_offset,d_b,k_b_offset,d_ 2 &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 ( p11 h15 )_ytratrb + = 1 * Sum ( h2 ) * trb ( p11 h2 )_trb * i3 ( h2 h15 )_ytra 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 h15b 25 INTEGER dimc 26 INTEGER l_c_sort 27 INTEGER k_c_sort 28 INTEGER h2b 29 INTEGER p11b_1 30 INTEGER h2b_1 31 INTEGER h2b_2 32 INTEGER h15b_2 33 INTEGER dim_common 34 INTEGER dima_sort 35 INTEGER dima 36 INTEGER dimb_sort 37 INTEGER dimb 38 INTEGER l_a_sort 39 INTEGER k_a_sort 40 INTEGER l_a 41 INTEGER k_a 42 INTEGER l_b_sort 43 INTEGER k_b_sort 44 INTEGER l_b 45 INTEGER k_b 46 INTEGER l_c 47 INTEGER k_c 48 EXTERNAL nxtask 49 nprocs = GA_NNODES() 50 count = 0 51 next = nxtask(nprocs,1) 52 DO p11b = noab+1,noab+nvab 53 DO h15b = 1,noab 54 IF (next.eq.count) THEN 55 IF ((.not.restricted).or.(int_mb(k_spin+p11b-1)+int_mb(k_spin+h15b 56 &-1).ne.4)) THEN 57 IF (int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+h15b-1)) THEN 58 IF (ieor(int_mb(k_sym+p11b-1),int_mb(k_sym+h15b-1)) .eq. ieor(irre 59 &p_y,ieor(irrep_tra,irrep_trb))) THEN 60 dimc = int_mb(k_range+p11b-1) * int_mb(k_range+h15b-1) 61 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL 62 & ERRQUIT('ccsdt_lr_alpha2_9_29_1',0,MA_ERR) 63 CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1) 64 DO h2b = 1,noab 65 IF (int_mb(k_spin+p11b-1) .eq. int_mb(k_spin+h2b-1)) THEN 66 IF (ieor(int_mb(k_sym+p11b-1),int_mb(k_sym+h2b-1)) .eq. irrep_trb) 67 & THEN 68 CALL TCE_RESTRICTED_2(p11b,h2b,p11b_1,h2b_1) 69 CALL TCE_RESTRICTED_2(h2b,h15b,h2b_2,h15b_2) 70 dim_common = int_mb(k_range+h2b-1) 71 dima_sort = int_mb(k_range+p11b-1) 72 dima = dim_common * dima_sort 73 dimb_sort = int_mb(k_range+h15b-1) 74 dimb = dim_common * dimb_sort 75 IF ((dima .gt. 0) .and. (dimb .gt. 0)) THEN 76 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a_sort,k_a_sort)) CALL 77 & ERRQUIT('ccsdt_lr_alpha2_9_29_1',1,MA_ERR) 78 IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT(' 79 &ccsdt_lr_alpha2_9_29_1',2,MA_ERR) 80 CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h2b_1 81 & - 1 + noab * (p11b_1 - noab - 1))) 82 CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p11b-1 83 &),int_mb(k_range+h2b-1),1,2,1.0d0) 84 IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('ccsdt_lr_alpha2_9_29_1', 85 &3,MA_ERR) 86 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL 87 & ERRQUIT('ccsdt_lr_alpha2_9_29_1',4,MA_ERR) 88 IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT(' 89 &ccsdt_lr_alpha2_9_29_1',5,MA_ERR) 90 CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(h15b_ 91 &2 - 1 + noab * (h2b_2 - 1))) 92 CALL TCE_SORT_2(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1) 93 &,int_mb(k_range+h15b-1),2,1,1.0d0) 94 IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('ccsdt_lr_alpha2_9_29_1', 95 &6,MA_ERR) 96 CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a 97 &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor 98 &t),dima_sort) 99 IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_9_2 100 &9_1',7,MA_ERR) 101 IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_9_2 102 &9_1',8,MA_ERR) 103 END IF 104 END IF 105 END IF 106 END DO 107 IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT(' 108 &ccsdt_lr_alpha2_9_29_1',9,MA_ERR) 109 CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+h15b-1 110 &),int_mb(k_range+p11b-1),2,1,1.0d0) 111 CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(h15b 112 &- 1 + noab * (p11b - noab - 1))) 113 IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('ccsdt_lr_alpha2_9_29_1', 114 &10,MA_ERR) 115 IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('ccsdt_lr_alpha2_9_2 116 &9_1',11,MA_ERR) 117 END IF 118 END IF 119 END IF 120 next = nxtask(nprocs,1) 121 END IF 122 count = count + 1 123 END DO 124 END DO 125 next = nxtask(-nprocs,1) 126 call GA_SYNC() 127 RETURN 128 END 129