* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014,2015,2016,2017 The GROMACS development team.
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, 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.
return addMessageIfNotSupported(errorReasons, error);
}
+bool pme_gpu_mixed_mode_supports_input(const t_inputrec& ir, std::string* error)
+{
+ std::list<std::string> errorReasons;
+ if (ir.efep != efepNO)
+ {
+ errorReasons.emplace_back("Free Energy Perturbation (in PME GPU mixed mode)");
+ }
+ return addMessageIfNotSupported(errorReasons, error);
+}
+
/*! \brief \libinternal
* Finds out if PME with given inputs is possible to run on GPU.
* This function is an internal final check, validating the whole PME structure on creation,