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https://github.com/LCPQ/quantum_package
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Memory control not needed on slaves
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@ -13,24 +13,6 @@ end
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subroutine davidson_slave_tcp(i)
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implicit none
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integer, intent(in) :: i
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integer :: nproc_target
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double precision :: r1
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if (qp_max_mem > 0) then
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nproc_target = nproc
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r1 = 8.d0*(3.d0*dble(N_det*N_states_diag) &
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+ nproc_target*(4.d0*N_det_alpha_unique+2.d0*N_states_diag*N_det))/(1024.d0**3)
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do while (r1 > qp_max_mem)
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nproc_target = nproc_target - 1
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r1 = 8.d0*(3.d0*dble(N_det*N_states_diag) &
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+ nproc_target*(4.d0*N_det_alpha_unique+2.d0*N_states_diag*N_det))/(1024.d0**3)
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if (nproc_target == 0) then
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nproc_target = 1
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exit
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endif
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enddo
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call omp_set_num_threads(nproc_target)
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call write_int(6,nproc_target,'Number of threads for diagonalization')
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endif
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call davidson_run_slave(0,i)
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end
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