Merge release-2021 into master

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

diff --git a/src/gromacs/ewald/pme.h b/src/gromacs/ewald/pme.h
index 03d4da52c07097da2a8521823638d58f99902045..eb0c5651753535db601959d2101f7f8e12669ebd 100644 (file)
--- a/src/gromacs/ewald/pme.h
+++ b/src/gromacs/ewald/pme.h
@@ -300,6 +300,17 @@ bool pme_gpu_supports_hardware(const gmx_hw_info_t& hwinfo, std::string* error);
  */
 bool pme_gpu_supports_input(const t_inputrec& ir, std::string* error);
 
+/*! \brief Checks whether the input system allows to run PME on GPU in Mixed mode.
+ * Assumes that the input system is compatible with GPU PME otherwise, that is,
+ * before calling this function one should check that \ref pme_gpu_supports_input returns \c true.
+ *
+ * \param[in]  ir     Input system.
+ * \param[out] error  If non-null, the error message if the input is not supported.
+ *
+ * \returns true if PME can run on GPU in Mixed mode with this input, false otherwise.
+ */
+bool pme_gpu_mixed_mode_supports_input(const t_inputrec& ir, std::string* error);
+
 /*! \brief
  * Returns the active PME codepath (CPU, GPU, mixed).
  * \todo This is a rather static data that should be managed by the higher level task scheduler.