Merge commit d30f2cb6 from release-2020 into master

[alexxy/gromacs.git] / src / gromacs / nbnxm / cuda / nbnxm_cuda.cu

diff --git a/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu b/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
index 04d0dfd3838fa29fd09171261ea4f42c5cd0b08d..2bec5d520b9c66f82e39e7bc90775650505f5060 100644 (file)
--- a/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
+++ b/src/gromacs/nbnxm/cuda/nbnxm_cuda.cu
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2012-2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -859,12 +859,12 @@ void nbnxn_gpu_x_to_nbat_x(const Nbnxm::Grid&        grid,
         config.stream           = stream;
 
         auto       kernelFn      = nbnxn_gpu_x_to_nbat_x_kernel;
-        float*     xqPtr         = &(adat->xq->x);
+        float4*    d_xq          = adat->xq;
         const int* d_atomIndices = nb->atomIndices;
         const int* d_cxy_na      = &nb->cxy_na[numColumnsMax * gridId];
         const int* d_cxy_ind     = &nb->cxy_ind[numColumnsMax * gridId];
         const auto kernelArgs    = prepareGpuKernelArguments(
-                kernelFn, config, &numColumns, &xqPtr, &setFillerCoords, &d_x, &d_atomIndices,
+                kernelFn, config, &numColumns, &d_xq, &setFillerCoords, &d_x, &d_atomIndices,
                 &d_cxy_na, &d_cxy_ind, &cellOffset, &numAtomsPerCell);
         launchGpuKernel(kernelFn, config, nullptr, "XbufferOps", kernelArgs);
     }