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Tuned davidson

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This commit is contained in:
Anthony Scemama 2017-04-18 18:55:51 +02:00
parent b4aef21b50
commit 0af043390c
1 changed files with 4 additions and 3 deletions
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7
src/Davidson/davidson_parallel.irp.f
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@ -106,7 +106,8 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze_
endif
if (N_det_read /= N_det) then
stop 'error : N_det'
N_det = N_det_read
TOUCH N_det
endif
rc = f77_zmq_recv(zmq_to_qp_run_socket,psi_det,N_int*2*N_det*bit_kind,0)
@ -339,9 +340,9 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze_8)
integer :: istep, imin, imax, ishift
istep=2
do imin=1,N_det, 262144
do imin=1,N_det, 1048576
do ishift=0,istep-1
imax = min(N_det, imin+262144-1)
imax = min(N_det, imin+1048576-1)
write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
enddo