Skip to content

GitLab

Unverified Commit ae5bc677 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Fixed numeric overflow in computing interaction groups (#4148)

parent dd07fa70
Hide whitespace changes
Inline Side-by-side
Showing with 5 additions and 4 deletions
platforms/common/src/kernels/customNonbondedGroups.cc
View file @ ae5bc677
......@@ -50,8 +50,9 @@ KERNEL void computeInteractionGroups(
LOCAL AtomData localData[LOCAL_MEMORY_SIZE];
LOCAL int reductionBuffer[LOCAL_MEMORY_SIZE];
const unsigned int startTile = (useNeighborList ? warp*numGroupTiles[0]/totalWarps : FIRST_TILE+warp*(LAST_TILE-FIRST_TILE)/totalWarps);
const unsigned int endTile = (useNeighborList ? (warp+1)*numGroupTiles[0]/totalWarps : FIRST_TILE+(warp+1)*(LAST_TILE-FIRST_TILE)/totalWarps);
mm_ulong wl = warp;
const unsigned int startTile = (unsigned int) (useNeighborList ? wl*numGroupTiles[0]/totalWarps : FIRST_TILE+wl*(LAST_TILE-FIRST_TILE)/totalWarps);
const unsigned int endTile = (unsigned int) (useNeighborList ? (wl+1)*numGroupTiles[0]/totalWarps : FIRST_TILE+(wl+1)*(LAST_TILE-FIRST_TILE)/totalWarps);
for (int tile = startTile; tile < endTile; tile++) {
const int4 atomData = groupData[TILE_SIZE*tile+tgx];
const int atom1 = atomData.x;
......@@ -155,8 +156,8 @@ KERNEL void buildNeighborList(GLOBAL int* RESTRICT rebuildNeighborList, GLOBAL i
LOCAL volatile int tileIndex[WARPS_IN_BLOCK];
LOCAL int reductionBuffer[LOCAL_MEMORY_SIZE];
const unsigned int startTile = warp*NUM_TILES/totalWarps;
const unsigned int endTile = (warp+1)*NUM_TILES/totalWarps;
const unsigned int startTile = (unsigned int) (warp*(mm_ulong)NUM_TILES/totalWarps);
const unsigned int endTile = (unsigned int) ((warp+1)*(mm_ulong)NUM_TILES/totalWarps);
for (int tile = startTile; tile < endTile; tile++) {
const int4 atomData = groupData[TILE_SIZE*tile+tgx];
const int atom1 = atomData.x;
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment