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1   // ******************************************************************************
2   //
3   // Title:       Force Field X.
4   // Description: Force Field X - Software for Molecular Biophysics.
5   // Copyright:   Copyright (c) Michael J. Schnieders 2001-2025.
6   //
7   // This file is part of Force Field X.
8   //
9   // Force Field X is free software; you can redistribute it and/or modify it
10  // under the terms of the GNU General Public License version 3 as published by
11  // the Free Software Foundation.
12  //
13  // Force Field X is distributed in the hope that it will be useful, but WITHOUT
14  // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
15  // FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
16  // details.
17  //
18  // You should have received a copy of the GNU General Public License along with
19  // Force Field X; if not, write to the Free Software Foundation, Inc., 59 Temple
20  // Place, Suite 330, Boston, MA 02111-1307 USA
21  //
22  // Linking this library statically or dynamically with other modules is making a
23  // combined work based on this library. Thus, the terms and conditions of the
24  // GNU General Public License cover the whole combination.
25  //
26  // As a special exception, the copyright holders of this library give you
27  // permission to link this library with independent modules to produce an
28  // executable, regardless of the license terms of these independent modules, and
29  // to copy and distribute the resulting executable under terms of your choice,
30  // provided that you also meet, for each linked independent module, the terms
31  // and conditions of the license of that module. An independent module is a
32  // module which is not derived from or based on this library. If you modify this
33  // library, you may extend this exception to your version of the library, but
34  // you are not obligated to do so. If you do not wish to do so, delete this
35  // exception statement from your version.
36  //
37  // ******************************************************************************
38  package ffx.xray.parallel;
39  
40  import edu.rit.pj.IntegerSchedule;
41  import edu.rit.util.Range;
42  
43  import static java.lang.System.arraycopy;
44  import static java.util.Arrays.fill;
45  
46  /**
47   * RowSchedule class.
48   *
49   * @author Michael J. Schnieders
50   * @since 1.0
51   */
52  public class RowSchedule extends IntegerSchedule {
53  
54    private final int[] lowerBounds;
55    private final int fftZ;
56    private final int fftY;
57    private int nThreads;
58    private boolean[] threadDone;
59    private Range[] ranges;
60    private int[] weights;
61  
62    /**
63     * Constructor for RowSchedule.
64     *
65     * @param nThreads a int.
66     * @param fftZ     a int.
67     * @param fftY     a int.
68     */
69    public RowSchedule(int nThreads, int fftZ, int fftY) {
70      this.nThreads = nThreads;
71      threadDone = new boolean[nThreads];
72      ranges = new Range[nThreads];
73      lowerBounds = new int[nThreads + 1];
74      this.fftY = fftY;
75      this.fftZ = fftZ;
76    }
77  
78    /**
79     * {@inheritDoc}
80     */
81    @Override
82    public boolean isFixedSchedule() {
83      return true;
84    }
85  
86    /**
87     * {@inheritDoc}
88     */
89    @Override
90    public Range next(int threadID) {
91      if (!threadDone[threadID]) {
92        threadDone[threadID] = true;
93        return ranges[threadID];
94      }
95      return null;
96    }
97  
98    /**
99     * {@inheritDoc}
100    */
101   @Override
102   public void start(int nThreads, Range chunkRange) {
103     this.nThreads = nThreads;
104 
105     if (nThreads != threadDone.length) {
106       threadDone = new boolean[nThreads];
107     }
108     fill(threadDone, false);
109 
110     if (nThreads != ranges.length) {
111       ranges = new Range[nThreads];
112     }
113     fill(lowerBounds, 0);
114     defineRanges();
115   }
116 
117   /**
118    * updateWeights.
119    *
120    * @param weights an array of weights.
121    */
122   public void updateWeights(int[] weights) {
123     this.weights = weights;
124   }
125 
126   private int totalWeight() {
127     int totalWeight = 0;
128     for (int i = 0; i < fftZ * fftY; i++) {
129       totalWeight += weights[i];
130     }
131     return totalWeight;
132   }
133 
134   private void defineRanges() {
135     double totalWeight = totalWeight();
136 
137     // Infrequent edge case where the total weight is less than or equal to the number of threads.
138     if (totalWeight <= nThreads) {
139       Range temp = new Range(0, fftZ * fftY - 1);
140       ranges = temp.subranges(nThreads);
141       return;
142     }
143 
144     // Handle the case where we only have a single thread, which will receive all the rows.
145     if (nThreads == 1) {
146       ranges[0] = new Range(0, fftZ * fftY - 1);
147       return;
148     }
149 
150     double targetWeight = (totalWeight / nThreads);
151     int lastRow = fftZ * fftY - 1;
152 
153     int currentRow = 0;
154     lowerBounds[0] = 0;
155     int currentThread = 0;
156     while (currentThread < nThreads) {
157       int threadWeight = 0;
158       while (threadWeight < targetWeight && currentRow < lastRow) {
159         threadWeight += weights[currentRow];
160         currentRow++;
161       }
162       currentThread++;
163       if (currentRow < lastRow) {
164         lowerBounds[currentThread] = currentRow;
165       } else {
166         lowerBounds[currentThread] = lastRow;
167         break;
168       }
169     }
170 
171     int lastThread = currentThread;
172 
173     // Loop over all threads that will receive work except the final one.
174     for (currentThread = 0; currentThread < lastThread - 1; currentThread++) {
175       ranges[currentThread] =
176           new Range(lowerBounds[currentThread], lowerBounds[currentThread + 1] - 1);
177       // logger.info(String.format("Range for thread %d %s.", currentThread,
178       // ranges[currentThread]));
179 
180     }
181 
182     // Final range for the last thread that will receive work.
183     ranges[lastThread - 1] = new Range(lowerBounds[lastThread - 1], lastRow);
184     // logger.info(String.format("Range for thread %d %s.", lastThread - 1, ranges[lastThread -
185     // 1]));
186 
187     // Left-over threads with null ranges.
188     for (int it = lastThread; it < nThreads; it++) {
189       ranges[it] = null;
190     }
191   }
192 
193   /**
194    * getThreadWeights.
195    *
196    * @return an array of {@link int} objects.
197    */
198   public int[] getThreadWeights() {
199     int[] weightsToReturn = new int[nThreads];
200     arraycopy(weights, 0, weightsToReturn, 0, nThreads);
201     return weightsToReturn;
202   }
203 
204   /**
205    * Getter for the field <code>lowerBounds</code>.
206    *
207    * @return an array of {@link int} objects.
208    */
209   public int[] getLowerBounds() {
210     int[] boundsToReturn = new int[nThreads];
211     arraycopy(lowerBounds, 1, boundsToReturn, 0, nThreads);
212     return boundsToReturn;
213   }
214 }