Skip to content

GitLab

Commit 064a781f authored by peastman's avatar peastman Committed by GitHub
Browse files

Merge pull request #1630 from peastman/bug 

Fixed bug computing energies without forces
parents 89f8a27e 1ded9a60
Hide whitespace changes
Inline Side-by-side
Showing with 3 additions and 3 deletions
platforms/cuda/src/kernels/nonbonded.cu
View file @ 064a781f
......@@ -278,10 +278,10 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z;
#endif
#endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA
#endif
#endif
#ifdef USE_EXCLUSIONS
excl >>= 1;
#endif
......@@ -484,9 +484,9 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z;
#endif
#endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA
#endif
#endif
tj = (tj + 1) & (TILE_SIZE - 1);
}
......@@ -555,9 +555,9 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z;
#endif
#endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA
#endif
#endif
tj = (tj + 1) & (TILE_SIZE - 1);
}
......
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