From 360a95d562b8dca03a13386a763dd2fd4eb52b10 Mon Sep 17 00:00:00 2001 From: Jean-Luc Fattebert Date: Mon, 11 Dec 2023 17:15:15 -0500 Subject: [PATCH] Fix number of columns in 3d bio benchmark --- benchmarks/dmconstruction3d/dmconstruction_bio.F90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/benchmarks/dmconstruction3d/dmconstruction_bio.F90 b/benchmarks/dmconstruction3d/dmconstruction_bio.F90 index b627520..0633b2a 100644 --- a/benchmarks/dmconstruction3d/dmconstruction_bio.F90 +++ b/benchmarks/dmconstruction3d/dmconstruction_bio.F90 @@ -86,7 +86,7 @@ program biosolve ncols = norbs if(bioham%bml_type == BML_MATRIX_ELLPACK)then !ncols = norbs - int(5*norbs/10) - ncols = min(norbs,800) + ncols = min(norbs,3500) print*,'ncols = ',ncols endif @@ -143,6 +143,7 @@ program biosolve call bml_zero_matrix(bioham%bml_type,bml_element_real,dp,norbs,ncols,rho_bml) ! Call SP2 tol = 2.0D-5*norbs*bndfil + do i =1, nreps mlsi = mls() call prg_sp2_alg1(oham_bml, rho_bml, bioham%threshold, bndfil, 15,100, "Rel", tol, 20)