Require padded atom data for PME GPU

[alexxy/gromacs.git] / src / gromacs / ewald / pme_gpu_types_host.h

diff --git a/src/gromacs/ewald/pme_gpu_types_host.h b/src/gromacs/ewald/pme_gpu_types_host.h
index acdf24bf6d622edbb82a21dd2f244da9fcb91b4a..481c3a302d8151f53f3b613099ff5cfe8637bf52 100644 (file)
--- a/src/gromacs/ewald/pme_gpu_types_host.h
+++ b/src/gromacs/ewald/pme_gpu_types_host.h
@@ -152,18 +152,13 @@ struct PmeGpu
     PmeGpuStaging staging;
 
     /*! \brief Number of local atoms, padded to be divisible by c_pmeAtomDataAlignment.
-     * Used for kernel scheduling.
-     * kernelParams.atoms.nAtoms is the actual atom count to be used for data copying.
-     * TODO: this and the next member represent a memory allocation/padding properties -
-     * what a container type should do ideally.
-     */
-    int nAtomsPadded;
-    /*! \brief Number of local atoms, padded to be divisible by c_pmeAtomDataAlignment
-     * if c_usePadding is true.
+     *
      * Used only as a basic size for almost all the atom data allocations
      * (spline parameter data is also aligned by PME_SPREADGATHER_PARTICLES_PER_WARP).
-     * This should be the same as (c_usePadding ? nAtomsPadded : kernelParams.atoms.nAtoms).
      * kernelParams.atoms.nAtoms is the actual atom count to be used for most data copying.
+     *
+     * TODO: memory allocation/padding properties should be handled by
+     * something like a container
      */
     int nAtomsAlloc;