1      SUBROUTINE alpha_2_1_1(d_a,k_a_offset,d_b,k_b_offset,d_c,k_c_offse
2     &t)
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 ( h2 p1 )_vtrb + = 1 * Sum ( h4 p3 ) * trb ( p3 h4 )_trb * v ( h2 h4 p1 p3 )_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 h2b
24      INTEGER p1b
25      INTEGER dimc
26      INTEGER l_c_sort
27      INTEGER k_c_sort
28      INTEGER p3b
29      INTEGER h4b
30      INTEGER p3b_1
31      INTEGER h4b_1
32      INTEGER h2b_2
33      INTEGER h4b_2
34      INTEGER p1b_2
35      INTEGER p3b_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 h2b = 1,noab
56      DO p1b = noab+1,noab+nvab
57      IF (next.eq.count) THEN
58      IF ((.not.restricted).or.(int_mb(k_spin+h2b-1)+int_mb(k_spin+p1b-1
59     &).ne.4)) THEN
60      IF (int_mb(k_spin+h2b-1) .eq. int_mb(k_spin+p1b-1)) THEN
61      IF (ieor(int_mb(k_sym+h2b-1),int_mb(k_sym+p1b-1)) .eq. ieor(irrep_
62     &v,irrep_trb)) THEN
63      dimc = int_mb(k_range+h2b-1) * int_mb(k_range+p1b-1)
64      IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c_sort,k_c_sort)) CALL
65     & ERRQUIT('alpha_2_1_1',0,MA_ERR)
66      CALL DFILL(dimc,0.0d0,dbl_mb(k_c_sort),1)
67      DO p3b = noab+1,noab+nvab
68      DO h4b = 1,noab
69      IF (int_mb(k_spin+p3b-1) .eq. int_mb(k_spin+h4b-1)) THEN
70      IF (ieor(int_mb(k_sym+p3b-1),int_mb(k_sym+h4b-1)) .eq. irrep_trb)
71     &THEN
72      CALL TCE_RESTRICTED_2(p3b,h4b,p3b_1,h4b_1)
73      CALL TCE_RESTRICTED_4(h2b,h4b,p1b,p3b,h2b_2,h4b_2,p1b_2,p3b_2)
74      dim_common = int_mb(k_range+p3b-1) * int_mb(k_range+h4b-1)
75      dima_sort = 1
76      dima = dim_common * dima_sort
77      dimb_sort = int_mb(k_range+h2b-1) * int_mb(k_range+p1b-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('alpha_2_1_1',1,MA_ERR)
82      IF (.not.MA_PUSH_GET(mt_dbl,dima,'noname',l_a,k_a)) CALL ERRQUIT('
83     &alpha_2_1_1',2,MA_ERR)
84      CALL GET_HASH_BLOCK(d_a,dbl_mb(k_a),dima,int_mb(k_a_offset),(h4b_1
85     & - 1 + noab * (p3b_1 - noab - 1)))
86      CALL TCE_SORT_2(dbl_mb(k_a),dbl_mb(k_a_sort),int_mb(k_range+p3b-1)
87     &,int_mb(k_range+h4b-1),2,1,1.0d0)
88      IF (.not.MA_POP_STACK(l_a)) CALL ERRQUIT('alpha_2_1_1',3,MA_ERR)
89      IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b_sort,k_b_sort)) CALL
90     & ERRQUIT('alpha_2_1_1',4,MA_ERR)
91      IF (.not.MA_PUSH_GET(mt_dbl,dimb,'noname',l_b,k_b)) CALL ERRQUIT('
92     &alpha_2_1_1',5,MA_ERR)
93      IF ((h4b .lt. h2b) .and. (p3b .lt. p1b)) THEN
94      if(.not.intorb) then
95      CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p1b_2
96     & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab
97     &+nvab) * (h4b_2 - 1)))))
98      else
99      CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),
100     &(p1b_2
101     & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab
102     &+nvab) * (h4b_2 - 1)))),p1b_2,p3b_2,h2b_2,h4b_2)
103      end if
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+p3b-1),int_mb(k_range+p1b-1)
106     &,4,2,1,3,1.0d0)
107      END IF
108      IF ((h4b .lt. h2b) .and. (p1b .le. p3b)) THEN
109      if(.not.intorb) then
110      CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2
111     & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab
112     &+nvab) * (h4b_2 - 1)))))
113      else
114      CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),
115     &(p3b_2
116     & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h2b_2 - 1 + (noab
117     &+nvab) * (h4b_2 - 1)))),p3b_2,p1b_2,h2b_2,h4b_2)
118      end if
119      CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h4b-1)
120     &,int_mb(k_range+h2b-1),int_mb(k_range+p1b-1),int_mb(k_range+p3b-1)
121     &,3,2,1,4,-1.0d0)
122      END IF
123      IF ((h2b .le. h4b) .and. (p3b .lt. p1b)) THEN
124      if(.not.intorb) then
125      CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p1b_2
126     & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab
127     &+nvab) * (h2b_2 - 1)))))
128      else
129      CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),
130     &(p1b_2
131     & - 1 + (noab+nvab) * (p3b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab
132     &+nvab) * (h2b_2 - 1)))),p1b_2,p3b_2,h4b_2,h2b_2)
133      end if
134      CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1)
135     &,int_mb(k_range+h4b-1),int_mb(k_range+p3b-1),int_mb(k_range+p1b-1)
136     &,4,1,2,3,-1.0d0)
137      END IF
138      IF ((h2b .le. h4b) .and. (p1b .le. p3b)) THEN
139      if(.not.intorb) then
140      CALL GET_HASH_BLOCK(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),(p3b_2
141     & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab
142     &+nvab) * (h2b_2 - 1)))))
143      else
144      CALL GET_HASH_BLOCK_I(d_b,dbl_mb(k_b),dimb,int_mb(k_b_offset),
145     &(p3b_2
146     & - 1 + (noab+nvab) * (p1b_2 - 1 + (noab+nvab) * (h4b_2 - 1 + (noab
147     &+nvab) * (h2b_2 - 1)))),p3b_2,p1b_2,h4b_2,h2b_2)
148      end if
149      CALL TCE_SORT_4(dbl_mb(k_b),dbl_mb(k_b_sort),int_mb(k_range+h2b-1)
150     &,int_mb(k_range+h4b-1),int_mb(k_range+p1b-1),int_mb(k_range+p3b-1)
151     &,3,1,2,4,1.0d0)
152      END IF
153      IF (.not.MA_POP_STACK(l_b)) CALL ERRQUIT('alpha_2_1_1',6,MA_ERR)
154      CALL DGEMM('T','N',dima_sort,dimb_sort,dim_common,1.0d0,dbl_mb(k_a
155     &_sort),dim_common,dbl_mb(k_b_sort),dim_common,1.0d0,dbl_mb(k_c_sor
156     &t),dima_sort)
157      IF (.not.MA_POP_STACK(l_b_sort)) CALL ERRQUIT('alpha_2_1_1',7,MA_E
158     &RR)
159      IF (.not.MA_POP_STACK(l_a_sort)) CALL ERRQUIT('alpha_2_1_1',8,MA_E
160     &RR)
161      END IF
162      END IF
163      END IF
164      END DO
165      END DO
166      IF (.not.MA_PUSH_GET(mt_dbl,dimc,'noname',l_c,k_c)) CALL ERRQUIT('
167     &alpha_2_1_1',9,MA_ERR)
168      CALL TCE_SORT_2(dbl_mb(k_c_sort),dbl_mb(k_c),int_mb(k_range+p1b-1)
169     &,int_mb(k_range+h2b-1),2,1,1.0d0)
170      CALL ADD_HASH_BLOCK(d_c,dbl_mb(k_c),dimc,int_mb(k_c_offset),(p1b -
171     & noab - 1 + nvab * (h2b - 1)))
172      IF (.not.MA_POP_STACK(l_c)) CALL ERRQUIT('alpha_2_1_1',10,MA_ERR)
173      IF (.not.MA_POP_STACK(l_c_sort)) CALL ERRQUIT('alpha_2_1_1',11,MA_
174     &ERR)
175      END IF
176      END IF
177      END IF
178      next = NXTASK(nprocs,1)
179      END IF
180      count = count + 1
181      END DO
182      END DO
183      next = NXTASK(-nprocs,1)
184      call GA_SYNC()
185      RETURN
186      END
187