From 6c7b162ec5098f600ab1b9ad6b0323f4321cdd92 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 17 Feb 2021 15:49:58 +0100 Subject: [PATCH] Fix calculation of mem requirements --- src/davidson/diagonalization_hcsf_dressed.irp.f | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/davidson/diagonalization_hcsf_dressed.irp.f b/src/davidson/diagonalization_hcsf_dressed.irp.f index d60b848b..dc3ab659 100644 --- a/src/davidson/diagonalization_hcsf_dressed.irp.f +++ b/src/davidson/diagonalization_hcsf_dressed.irp.f @@ -155,8 +155,10 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N call resident_memory(rss) do r1 = 8.d0 * &! bytes - ( dble(sze)*(N_st_diag*itermax) &! U - + 1.0d0*dble(sze*m)*(N_st_diag*itermax) &! W + ( dble(sze)*(N_st_diag) &! U + + dble(sze_csf)*(N_st_diag*itermax) &! U_csf + + dble(sze)*(N_st_diag) &! W + + dble(sze_csf)*(N_st_diag*itermax) &! W_csf + 3.0d0*(N_st_diag*itermax)**2 &! h,y,s_tmp + 1.d0*(N_st_diag*itermax) &! lambda + 1.d0*(N_st_diag) &! residual_norm