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Tuned davidson

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This commit is contained in:
Anthony Scemama 2017-04-18 18:41:07 +02:00
parent df95c1af1c
commit b4aef21b50
2 changed files with 16 additions and 16 deletions
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30
src/Davidson/davidson_parallel.irp.f
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@ -338,22 +338,22 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze_8)
integer :: istep, imin, imax, ishift integer :: istep, imin, imax, ishift
! istep=1 istep=2
! do imin=1,N_det, 524288 do imin=1,N_det, 262144
! do ishift=0,istep-1 do ishift=0,istep-1
! imax = min(N_det, imin+524288-1) imax = min(N_det, imin+262144-1)
! write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|' write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
! call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task)) call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
! enddo enddo
! enddo
istep=N_det/131072+1
imin=1
imax=N_det
do ishift=0,istep-1
write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
enddo enddo
! istep=2
! imin=1
! imax=N_det
! do ishift=0,istep-1
! write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'
! call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task))
! enddo
v_0 = 0.d0 v_0 = 0.d0
s_0 = 0.d0 s_0 = 0.d0

2
src/Davidson/davidson_slave.irp.f
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@ -26,6 +26,6 @@ program davidson_slave
end end
subroutine provide_everything subroutine provide_everything
PROVIDE mo_bielec_integrals_in_map psi_det_sorted_bit N_states_diag zmq_context PROVIDE mo_bielec_integrals_in_map psi_det_sorted_bit N_states_diag zmq_context ref_bitmask_energy
end subroutine end subroutine