2016-09-30 15:29:06 +02:00
|
|
|
|
|
|
|
|
!brought to you by garniroy inc.
|
|
|
|
|
|
|
|
|
|
use bitmasks
|
2016-09-30 18:33:46 +02:00
|
|
|
use f77_zmq
|
2016-09-30 15:29:06 +02:00
|
|
|
|
|
|
|
|
subroutine davidson_process(block, N, idx, vt, st)
|
|
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
integer , intent(in) :: block
|
|
|
|
|
integer , intent(inout) :: N
|
|
|
|
|
integer , intent(inout) :: idx(N_det)
|
|
|
|
|
double precision , intent(inout) :: vt(N_states, N_det)
|
|
|
|
|
double precision , intent(inout) :: st(N_states, N_det)
|
|
|
|
|
|
|
|
|
|
integer :: i, j, sh, sh2, exa, ext, org_i, org_j, istate, ni, endi
|
|
|
|
|
integer(bit_kind) :: sorted_i(N_int)
|
|
|
|
|
double precision :: s2, hij
|
|
|
|
|
|
|
|
|
|
vt = 0d0
|
|
|
|
|
st = 0d0
|
|
|
|
|
|
|
|
|
|
N = N_det
|
|
|
|
|
do i=1,N
|
|
|
|
|
idx(i) = i
|
|
|
|
|
end do
|
|
|
|
|
|
|
|
|
|
sh = block
|
|
|
|
|
|
|
|
|
|
do sh2=1,sh
|
|
|
|
|
exa = 0
|
|
|
|
|
do ni=1,N_int
|
|
|
|
|
exa = exa + popcnt(xor(version_(ni,sh,1), version_(ni,sh2,1)))
|
|
|
|
|
end do
|
|
|
|
|
if(exa > 2) then
|
|
|
|
|
cycle
|
|
|
|
|
end if
|
|
|
|
|
|
|
|
|
|
do i=shortcut_(sh,1),shortcut_(sh+1,1)-1
|
|
|
|
|
org_i = sort_idx_(i,1)
|
|
|
|
|
if(sh==sh2) then
|
|
|
|
|
endi = i-1
|
|
|
|
|
else
|
|
|
|
|
endi = shortcut_(sh2+1,1)-1
|
|
|
|
|
end if
|
|
|
|
|
do ni=1,N_int
|
|
|
|
|
sorted_i(ni) = sorted_(ni,i,1)
|
|
|
|
|
enddo
|
|
|
|
|
|
|
|
|
|
do j=shortcut_(sh2,1),endi
|
|
|
|
|
org_j = sort_idx_(j,1)
|
|
|
|
|
ext = exa
|
|
|
|
|
do ni=1,N_int
|
|
|
|
|
ext = ext + popcnt(xor(sorted_i(ni), sorted_(ni,j,1)))
|
|
|
|
|
end do
|
|
|
|
|
if(ext <= 4) then
|
|
|
|
|
call i_h_j (psi_det(1,1,org_j),psi_det(1,1,org_i),n_int,hij)
|
|
|
|
|
call get_s2(psi_det(1,1,org_j),psi_det(1,1,org_i),n_int,s2)
|
|
|
|
|
do istate=1,N_states
|
2016-09-30 18:33:46 +02:00
|
|
|
vt (istate,org_i) = vt (istate,org_i) + hij*dav_ut(istate,org_j)
|
|
|
|
|
vt (istate,org_j) = vt (istate,org_j) + hij*dav_ut(istate,org_i)
|
|
|
|
|
st (istate,org_i) = st (istate,org_i) + s2*dav_ut(istate,org_j)
|
|
|
|
|
st (istate,org_j) = st (istate,org_j) + s2*dav_ut(istate,org_i)
|
2016-09-30 15:29:06 +02:00
|
|
|
enddo
|
|
|
|
|
endif
|
|
|
|
|
enddo
|
|
|
|
|
enddo
|
|
|
|
|
enddo
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_collect(block, N, idx, vt, st , v0, s0)
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
integer , intent(in) :: block
|
|
|
|
|
integer , intent(in) :: N
|
|
|
|
|
integer , intent(in) :: idx(N)
|
|
|
|
|
double precision , intent(in) :: vt(N_states, N)
|
|
|
|
|
double precision , intent(in) :: st(N_states, N)
|
|
|
|
|
double precision , intent(inout) :: v0(N_det, N_states)
|
|
|
|
|
double precision , intent(inout) :: s0(N_det, N_states)
|
|
|
|
|
|
|
|
|
|
integer :: i
|
|
|
|
|
|
|
|
|
|
do i=1,N
|
|
|
|
|
v0(idx(i), :) += vt(:, i)
|
|
|
|
|
s0(idx(i), :) += st(:, i)
|
|
|
|
|
end do
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_init(zmq_to_qp_run_socket)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR), intent(out) :: zmq_to_qp_run_socket ! zmq_to_qp_run_socket
|
|
|
|
|
|
|
|
|
|
call new_parallel_job(zmq_to_qp_run_socket,'davidson')
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_add_task(zmq_to_qp_run_socket, block)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR) ,intent(in) :: zmq_to_qp_run_socket
|
|
|
|
|
integer ,intent(in) :: block
|
|
|
|
|
character*(512) :: task
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
write(task,*) block
|
|
|
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket, task)
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_slave_inproc(i)
|
|
|
|
|
implicit none
|
|
|
|
|
integer, intent(in) :: i
|
|
|
|
|
|
|
|
|
|
call davidson_run_slave(1,i)
|
|
|
|
|
end
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_slave_tcp(i)
|
|
|
|
|
implicit none
|
|
|
|
|
integer, intent(in) :: i
|
|
|
|
|
|
|
|
|
|
call davidson_run_slave(0,i)
|
|
|
|
|
end
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_run_slave(thread,iproc)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer, intent(in) :: thread, iproc
|
|
|
|
|
|
|
|
|
|
integer :: worker_id, task_id, block
|
|
|
|
|
character*(512) :: task
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
|
|
|
|
|
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR), external :: new_zmq_push_socket
|
|
|
|
|
integer(ZMQ_PTR) :: zmq_socket_push
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
|
|
|
|
|
zmq_socket_push = new_zmq_push_socket(thread)
|
|
|
|
|
call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
|
|
|
|
|
if(worker_id == -1) then
|
|
|
|
|
print *, "WORKER -1"
|
|
|
|
|
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|
|
|
|
call end_zmq_push_socket(zmq_socket_push,thread)
|
|
|
|
|
return
|
|
|
|
|
end if
|
|
|
|
|
|
|
|
|
|
call davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
|
|
|
|
|
|
|
|
|
|
call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
|
|
|
|
|
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|
|
|
|
call end_zmq_push_socket(zmq_socket_push,thread)
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR),intent(in) :: zmq_to_qp_run_socket
|
|
|
|
|
integer(ZMQ_PTR),intent(in) :: zmq_socket_push
|
|
|
|
|
integer,intent(in) :: worker_id
|
|
|
|
|
integer :: task_id
|
|
|
|
|
character*(512) :: task
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
integer :: block
|
|
|
|
|
integer :: N
|
|
|
|
|
integer , allocatable :: idx(:)
|
|
|
|
|
double precision , allocatable :: vt(:,:)
|
|
|
|
|
double precision , allocatable :: st(:,:)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
allocate(idx(N_det))
|
|
|
|
|
allocate(vt(N_states, N_det))
|
|
|
|
|
allocate(st(N_states, N_det))
|
|
|
|
|
|
2016-09-30 18:33:46 +02:00
|
|
|
call hobo_get()
|
|
|
|
|
|
2016-09-30 15:29:06 +02:00
|
|
|
do
|
|
|
|
|
call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
|
|
|
|
|
if(task_id == 0) exit
|
|
|
|
|
read (task,*) block
|
|
|
|
|
|
|
|
|
|
call davidson_process(block,N, idx, vt, st)
|
|
|
|
|
|
|
|
|
|
call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
|
|
|
|
|
call davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id)
|
|
|
|
|
end do
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_push_results(zmq_socket_push, block, N, idx, vt, st, task_id)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR) ,intent(in) :: zmq_socket_push
|
|
|
|
|
integer ,intent(in) :: task_id
|
|
|
|
|
|
|
|
|
|
integer ,intent(in) :: block
|
|
|
|
|
integer ,intent(in) :: N
|
|
|
|
|
integer ,intent(in) :: idx(N)
|
|
|
|
|
double precision ,intent(in) :: vt(N_states, N)
|
|
|
|
|
double precision ,intent(in) :: st(N_states, N)
|
|
|
|
|
integer :: rc
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, block, 4, ZMQ_SNDMORE)
|
|
|
|
|
if(rc /= 4) stop "davidson_push_results failed to push block"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE)
|
|
|
|
|
if(rc /= 4) stop "davidson_push_results failed to push N"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, idx, 4*N, ZMQ_SNDMORE)
|
|
|
|
|
if(rc /= 4*N) stop "davidson_push_results failed to push idx"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, vt, 8*N_states* N, ZMQ_SNDMORE)
|
|
|
|
|
if(rc /= 8*N_states* N) stop "davidson_push_results failed to push vt"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, st, 8*N_states* N, ZMQ_SNDMORE)
|
|
|
|
|
if(rc /= 8*N_states* N) stop "davidson_push_results failed to push st"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send( zmq_socket_push, task_id, 4, 0)
|
|
|
|
|
if(rc /= 4) stop "davidson_push_results failed to push task_id"
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR) ,intent(in) :: zmq_socket_pull
|
|
|
|
|
integer ,intent(out) :: task_id
|
|
|
|
|
integer ,intent(out) :: block
|
|
|
|
|
integer ,intent(out) :: N
|
|
|
|
|
integer ,intent(out) :: idx(N_det)
|
|
|
|
|
double precision ,intent(out) :: vt(N_states, N_det)
|
|
|
|
|
double precision ,intent(out) :: st(N_states, N_det)
|
|
|
|
|
|
|
|
|
|
integer :: rc
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, block, 4, 0)
|
|
|
|
|
if(rc /= 4) stop "davidson_push_results failed to pull block"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0)
|
|
|
|
|
if(rc /= 4) stop "davidson_push_results failed to pull N"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, idx, 4*N, 0)
|
|
|
|
|
if(rc /= 4*N) stop "davidson_push_results failed to pull idx"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, vt, 8*N_states* N, 0)
|
|
|
|
|
if(rc /= 8*N_states* N) stop "davidson_push_results failed to pull vt"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, st, 8*N_states* N, 0)
|
|
|
|
|
if(rc /= 8*N_states* N) stop "davidson_push_results failed to pull st"
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, task_id, 4, 0)
|
|
|
|
|
if(rc /= 4) stop "davidson_pull_results failed to pull task_id"
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull , v0, s0)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
|
|
|
|
|
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
|
|
|
|
|
|
|
|
|
|
double precision ,intent(inout) :: v0(N_det, N_states)
|
|
|
|
|
double precision ,intent(inout) :: s0(N_det, N_states)
|
|
|
|
|
|
|
|
|
|
integer :: more, task_id
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
integer :: block
|
|
|
|
|
integer :: N
|
|
|
|
|
integer , allocatable :: idx(:)
|
|
|
|
|
double precision , allocatable :: vt(:,:)
|
|
|
|
|
double precision , allocatable :: st(:,:)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
allocate(idx(N_det))
|
|
|
|
|
allocate(vt(N_states, N_det))
|
|
|
|
|
allocate(st(N_states, N_det))
|
|
|
|
|
|
|
|
|
|
more = 1
|
|
|
|
|
|
|
|
|
|
do while (more == 1)
|
|
|
|
|
call davidson_pull_results(zmq_socket_pull, block, N, idx, vt, st, task_id)
|
|
|
|
|
call davidson_collect(block, N, idx, vt, st , v0, s0)
|
|
|
|
|
|
|
|
|
|
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more)
|
|
|
|
|
end do
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine davidson_run(zmq_to_qp_run_socket , v0, s0)
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
|
|
|
|
|
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
|
|
|
|
|
integer(ZMQ_PTR) :: zmq_collector
|
|
|
|
|
integer(ZMQ_PTR), external :: new_zmq_pull_socket
|
|
|
|
|
integer(ZMQ_PTR) :: zmq_socket_pull
|
|
|
|
|
|
|
|
|
|
integer :: i
|
|
|
|
|
integer, external :: omp_get_thread_num
|
|
|
|
|
|
|
|
|
|
double precision , intent(inout) :: v0(N_det, N_states)
|
|
|
|
|
double precision , intent(inout) :: s0(N_det, N_states)
|
|
|
|
|
|
|
|
|
|
call zmq_set_running(zmq_to_qp_run_socket)
|
|
|
|
|
|
|
|
|
|
zmq_collector = new_zmq_to_qp_run_socket()
|
|
|
|
|
zmq_socket_pull = new_zmq_pull_socket()
|
|
|
|
|
i = omp_get_thread_num()
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
PROVIDE nproc
|
|
|
|
|
|
|
|
|
|
!$OMP PARALLEL DEFAULT(shared) private(i) num_threads(nproc+1)
|
|
|
|
|
i = omp_get_thread_num()
|
|
|
|
|
if (i==0) then
|
|
|
|
|
call davidson_collector(zmq_collector, zmq_socket_pull , v0, s0)
|
|
|
|
|
call end_zmq_to_qp_run_socket(zmq_collector)
|
|
|
|
|
call end_zmq_pull_socket(zmq_socket_pull)
|
2016-09-30 18:33:46 +02:00
|
|
|
call hobo_server_end()
|
|
|
|
|
else if(i==1) then
|
|
|
|
|
call hobo_server()
|
2016-09-30 15:29:06 +02:00
|
|
|
else
|
|
|
|
|
call davidson_slave_inproc(i)
|
|
|
|
|
endif
|
|
|
|
|
!$OMP END PARALLEL
|
|
|
|
|
call end_parallel_job(zmq_to_qp_run_socket, 'davidson')
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2016-09-30 18:33:46 +02:00
|
|
|
subroutine hobo_server()
|
|
|
|
|
use f77_zmq
|
|
|
|
|
implicit none
|
|
|
|
|
integer(ZMQ_PTR) context
|
|
|
|
|
integer(ZMQ_PTR) responder
|
|
|
|
|
character*(64) address
|
|
|
|
|
character(len=:), allocatable :: buffer
|
|
|
|
|
integer rc
|
2016-09-30 15:29:06 +02:00
|
|
|
|
2016-09-30 18:33:46 +02:00
|
|
|
allocate (character(len=20) :: buffer)
|
|
|
|
|
address = 'tcp://*:11223'
|
|
|
|
|
|
|
|
|
|
context = f77_zmq_ctx_new()
|
|
|
|
|
responder = f77_zmq_socket(context, ZMQ_REP)
|
|
|
|
|
rc = f77_zmq_bind(responder,address)
|
|
|
|
|
|
|
|
|
|
do
|
|
|
|
|
rc = f77_zmq_recv(responder, buffer, 5, 0)
|
|
|
|
|
if (buffer(1:rc) /= 'end') then
|
|
|
|
|
rc = f77_zmq_send (responder, N_det, 4, ZMQ_SNDMORE)
|
|
|
|
|
rc = f77_zmq_send (responder, psi_det, 16*N_int*N_det, ZMQ_SNDMORE)
|
|
|
|
|
rc = f77_zmq_send (responder, ut, 8*N_det*N_states, 0)
|
|
|
|
|
else
|
|
|
|
|
rc = f77_zmq_send (responder, "end", 3, 0)
|
|
|
|
|
exit
|
|
|
|
|
endif
|
|
|
|
|
enddo
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_close(responder)
|
|
|
|
|
rc = f77_zmq_ctx_destroy(context)
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine hobo_server_end()
|
|
|
|
|
implicit none
|
|
|
|
|
use f77_zmq
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR) context
|
|
|
|
|
integer(ZMQ_PTR) requester
|
|
|
|
|
character*(64) address
|
|
|
|
|
integer rc
|
|
|
|
|
character*(64) buf
|
|
|
|
|
|
|
|
|
|
address = trim(qp_run_address)//':11223'
|
|
|
|
|
context = f77_zmq_ctx_new()
|
|
|
|
|
requester = f77_zmq_socket(context, ZMQ_REQ)
|
|
|
|
|
rc = f77_zmq_connect(requester,address)
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send(requester, "end", 3, 0)
|
|
|
|
|
rc = f77_zmq_recv(requester, buf, 3, 0)
|
|
|
|
|
rc = f77_zmq_close(requester)
|
|
|
|
|
rc = f77_zmq_ctx_destroy(context)
|
|
|
|
|
end subroutine
|
2016-09-30 15:29:06 +02:00
|
|
|
|
2016-09-30 18:33:46 +02:00
|
|
|
|
|
|
|
|
subroutine hobo_get()
|
|
|
|
|
implicit none
|
|
|
|
|
use f77_zmq
|
|
|
|
|
|
|
|
|
|
integer(ZMQ_PTR) context
|
|
|
|
|
integer(ZMQ_PTR) requester
|
|
|
|
|
character*(64) address
|
|
|
|
|
character*(20) buffer
|
|
|
|
|
! integer(8), intent(inout) :: det(N_int,2,*)
|
|
|
|
|
! double precision, intent(inout) :: u_0(*)
|
|
|
|
|
! integer,intent(out) :: nd
|
|
|
|
|
integer rc
|
|
|
|
|
|
|
|
|
|
address = trim(qp_run_address)//':11223'
|
|
|
|
|
|
|
|
|
|
context = f77_zmq_ctx_new()
|
|
|
|
|
requester = f77_zmq_socket(context, ZMQ_REQ)
|
|
|
|
|
rc = f77_zmq_connect(requester,address)
|
|
|
|
|
|
|
|
|
|
rc = f77_zmq_send(requester, "Hello", 5, 0)
|
|
|
|
|
rc = f77_zmq_recv(requester, dav_size, 4, 0)
|
|
|
|
|
TOUCH dav_size
|
|
|
|
|
rc = f77_zmq_recv(requester, dav_det, 16*N_int*dav_size, 0)
|
|
|
|
|
rc = f77_zmq_recv(requester, dav_ut, 8*dav_size*N_states, 0)
|
|
|
|
|
rc = f77_zmq_close(requester)
|
|
|
|
|
rc = f77_zmq_ctx_destroy(context)
|
|
|
|
|
end subroutine
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ integer(bit_kind), dav_det, (N_int, 2, dav_size) ]
|
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ double precision, dav_ut, (N_states, dav_size) ]
|
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ double precision, ut, (N_states, N_det) ]
|
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ integer, dav_size ]
|
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ integer, shortcut_, (0:dav_size+1, 2) ]
|
|
|
|
|
&BEGIN_PROVIDER [ integer(bit_kind), version_, (N_int, dav_size, 2) ]
|
|
|
|
|
&BEGIN_PROVIDER [ integer(bit_kind), sorted_, (N_int, dav_size, 2) ]
|
|
|
|
|
&BEGIN_PROVIDER [ integer, sort_idx_, (dav_size, 2) ]
|
|
|
|
|
implicit none
|
|
|
|
|
call sort_dets_ab_v(dav_det, sorted_(1,1,1), sort_idx_(1,1), shortcut_(0,1), version_(1,1,1), dav_size, N_int)
|
|
|
|
|
call sort_dets_ba_v(dav_det, sorted_(1,1,2), sort_idx_(1,2), shortcut_(0,2), version_(1,1,2), dav_size, N_int)
|
|
|
|
|
END_PROVIDER
|
