real md3; // -V''' at the cutoff
} pot_derivatives_t;
-void verletbuf_get_list_setup(gmx_bool gmx_unused bSIMD,
- gmx_bool bGPU,
+void verletbuf_get_list_setup(bool makeSimdPairList,
+ bool makeGpuPairList,
verletbuf_list_setup_t *list_setup)
{
/* When calling this function we often don't know which kernel type we
* of size 1, 2 or 4, so for 4x8 or 8x8 we use the estimate for 4x4.
*/
- if (bGPU)
+ if (makeGpuPairList)
{
- /* The CUDA kernels split the j-clusters in two halves */
+ /* The GPU kernels split the j-clusters in two halves */
list_setup->cluster_size_i = nbnxn_kernel_to_cluster_i_size(nbnxnk8x8x8_GPU);
list_setup->cluster_size_j = nbnxn_kernel_to_cluster_j_size(nbnxnk8x8x8_GPU)/2;
}
kernel_type = nbnxnk4x4_PlainC;
-#if GMX_SIMD
- if (bSIMD)
+ if (GMX_SIMD && makeSimdPairList)
{
#ifdef GMX_NBNXN_SIMD_2XNN
/* We use the smallest cluster size to be on the safe side */
kernel_type = nbnxnk4xN_SIMD_4xN;
#endif
}
-#endif
list_setup->cluster_size_i = nbnxn_kernel_to_cluster_i_size(kernel_type);
list_setup->cluster_size_j = nbnxn_kernel_to_cluster_j_size(kernel_type);