Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2025 The plumed team
       3             :    (see the PEOPLE file at the root of the distribution for a list of names)
       4             : 
       5             :    See http://www.plumed.org for more information.
       6             : 
       7             :    This file is part of plumed, version 2.
       8             : 
       9             :    plumed is free software: you can redistribute it and/or modify
      10             :    it under the terms of the GNU Lesser General Public License as published by
      11             :    the Free Software Foundation, either version 3 of the License, or
      12             :    (at your option) any later version.
      13             : 
      14             :    plumed is distributed in the hope that it will be useful,
      15             :    but WITHOUT ANY WARRANTY; without even the implied warranty of
      16             :    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
      17             :    GNU Lesser General Public License for more details.
      18             : 
      19             :    You should have received a copy of the GNU Lesser General Public License
      20             :    along with plumed.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : #ifndef __PLUMED_core_AccelerableShortcut_h
      23             : #define __PLUMED_core_AccelerableShortcut_h
      24             : 
      25             : #include "ActionShortcut.h"
      26             : 
      27             : namespace PLMD {
      28             : 
      29             : template <class CV>
      30             : struct AccelerableShortcut : public ActionShortcut {
      31             : 
      32         248 :   static void registerKeywords(Keywords& keys ) {
      33         248 :     CV::registerKeywords( keys );
      34        2705 :     for (auto& key : keys.getKeys()) {
      35        4914 :       if( keys.style( key, "atoms" ) ) {
      36         150 :         keys.reset_style( key, "numbered" );
      37             :       }
      38             :     }
      39         248 :     keys.addActionNameSuffix("_CPU");
      40         496 :     keys.addActionNameSuffix("_ACC");
      41             :     //GPU related settings
      42         248 :     if (!keys.exists("USEGPU")) {
      43           0 :       keys.addFlag("USEGPU",false,"run this calculation on the GPU or the accelerated version, if available");
      44           0 :       keys.addLinkInDocForFlag("USEGPU","plugin_openaccPTM.md");
      45             :     }
      46         248 :   }
      47             : 
      48         136 :   AccelerableShortcut(const ActionOptions&ao):
      49             :     Action(ao),
      50         136 :     ActionShortcut(ao) {
      51         136 :     bool usegpuFLAG=false;
      52         136 :     parseFlag("USEGPU",usegpuFLAG);
      53         544 :     readInputLine( getShortcutLabel() + ": "
      54             :                    + getName()  + (usegpuFLAG ? "_ACC ":"_CPU ")
      55             :                    + convertInputLineToString() );
      56         140 :   }
      57             : };
      58             : } // namespace PLMD
      59             : #endif