From 99572799678ee32eb65b87d004b68841393e1c01 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 19 Apr 2017 20:22:37 +0200 Subject: [PATCH] Better load balancing in Davidson --- src/Davidson/davidson_parallel.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 1afcb00a..6a314ceb 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -353,7 +353,7 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze) di = dble(N_det) do imax=1,N_det di = di-1.d0 - w = w + (di*N_det_inv)**2 + w = w + di*N_det_inv if (w > max_workload) then do ishift=0,istep-1 write(task,'(4(I9,1X),1A)') imin, imax, ishift, istep, '|'