From 55ddfe4250686c08350d33ba949ba7705e28b1c1 Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Wed, 4 Mar 2015 14:57:29 +0100 Subject: [PATCH] Fixed mdrun fp exception with -debug A debug printf printed div by 0, which terminated debug builds. Change-Id: Ia02fded6dac000abece57a138b7b9b1dbc99b63a --- src/gromacs/mdlib/nbnxn_search.c | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/src/gromacs/mdlib/nbnxn_search.c b/src/gromacs/mdlib/nbnxn_search.c index 14573e913c..52d698b11b 100644 --- a/src/gromacs/mdlib/nbnxn_search.c +++ b/src/gromacs/mdlib/nbnxn_search.c @@ -1025,11 +1025,13 @@ static void print_bbsizes_simple(FILE *fp, fprintf(fp, "ns bb: grid %4.2f %4.2f %4.2f abs %4.2f %4.2f %4.2f rel %4.2f %4.2f %4.2f\n", grid->sx, grid->sy, - grid->na_c/(grid->atom_density*grid->sx*grid->sy), + grid->atom_density > 0 ? + grid->na_c/(grid->atom_density*grid->sx*grid->sy) : 0.0, ba[XX], ba[YY], ba[ZZ], ba[XX]/grid->sx, ba[YY]/grid->sy, - ba[ZZ]/(grid->na_c/(grid->atom_density*grid->sx*grid->sy))); + grid->atom_density > 0 ? + ba[ZZ]/(grid->na_c/(grid->atom_density*grid->sx*grid->sy)) : 0.0); } /* Prints the average bb size, used for debug output */ @@ -1078,11 +1080,13 @@ static void print_bbsizes_supersub(FILE *fp, fprintf(fp, "ns bb: grid %4.2f %4.2f %4.2f abs %4.2f %4.2f %4.2f rel %4.2f %4.2f %4.2f\n", grid->sx/GPU_NSUBCELL_X, grid->sy/GPU_NSUBCELL_Y, - grid->na_sc/(grid->atom_density*grid->sx*grid->sy*GPU_NSUBCELL_Z), + grid->atom_density > 0 ? + grid->na_sc/(grid->atom_density*grid->sx*grid->sy*GPU_NSUBCELL_Z) : 0.0, ba[XX], ba[YY], ba[ZZ], ba[XX]*GPU_NSUBCELL_X/grid->sx, ba[YY]*GPU_NSUBCELL_Y/grid->sy, - ba[ZZ]/(grid->na_sc/(grid->atom_density*grid->sx*grid->sy*GPU_NSUBCELL_Z))); + grid->atom_density > 0 ? + ba[ZZ]/(grid->na_sc/(grid->atom_density*grid->sx*grid->sy*GPU_NSUBCELL_Z)) : 0.0); } /* Potentially sorts atoms on LJ coefficients !=0 and ==0. -- 2.22.0