const t_inputrec *ir,
gmx_bool bGPU)
{
- /* TODO: remove these GPU specific restrictions by implementing CUDA kernels */
- if (bGPU)
- {
- if (ir->vdwtype == evdwPME)
- {
- md_print_warn(cr, fplog, "LJ-PME is not yet supported with GPUs, falling back to CPU only\n");
- return FALSE;
- }
- }
-
- if (ir->vdwtype == evdwPME && ir->ljpme_combination_rule == eljpmeLB)
+ if (!bGPU && (ir->vdwtype == evdwPME && ir->ljpme_combination_rule == eljpmeLB))
{
md_print_warn(cr, fplog, "LJ-PME with Lorentz-Berthelot is not supported with %s, falling back to %s\n",
bGPU ? "GPUs" : "SIMD kernels",