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.numerics.atomic;
39
40 import edu.rit.pj.IntegerForLoop;
41 import edu.rit.pj.ParallelRegion;
42 import edu.rit.pj.ParallelTeam;
43 import edu.rit.pj.reduction.SharedDoubleArray;
44 import java.util.logging.Level;
45 import java.util.logging.Logger;
46
47 /**
48 * PJDoubleArray implements the AtomicDoubleArray interface using the Parallel Java class
49 * SharedDoubleArray.
50 *
51 * <p>SharedDoubleArray is multiple thread safe and uses lock-free atomic compare-and-set.
52 *
53 * <p>Note: Class SharedDoubleArray is implemented using class
54 * java.util.concurrent.atomic.AtomicLongArray. Each double array element is stored as a long whose
55 * bit pattern is the same as the double value.
56 *
57 * @author Michael J. Schnieders
58 * @since 1.0
59 */
60 public class PJDoubleArray implements AtomicDoubleArray {
61
62 private static final Logger logger = Logger.getLogger(PJDoubleArray.class.getName());
63
64 private SharedDoubleArray array;
65 private int arraySize;
66
67 /**
68 * Constructor: Initialize the size and array.
69 *
70 * @param arraySize the desired size of the array.
71 */
72 public PJDoubleArray(int arraySize) {
73 this.arraySize = arraySize;
74 this.array = new SharedDoubleArray(arraySize);
75 }
76
77 /**
78 * {@inheritDoc}
79 */
80 @Override
81 public void add(final int threadID, final int index, final double value) {
82 array.getAndAdd(index, value);
83 }
84
85 /**
86 * {@inheritDoc}
87 */
88 @Override
89 public void alloc(final int newSize) {
90 this.arraySize = newSize;
91 if (array.length() < newSize) {
92 array = new SharedDoubleArray(newSize);
93 }
94 }
95
96 /**
97 * {@inheritDoc}
98 */
99 @Override
100 public double get(final int index) {
101 return array.get(index);
102 }
103
104 /**
105 * {@inheritDoc}
106 */
107 @Override
108 public void reduce(final int lowerBound, final int upperBound) {
109 // Intentionally left empty: handled atomically by SharedDoubleArray.
110 }
111
112 /**
113 * {@inheritDoc}
114 */
115 @Override
116 public void reduce(final ParallelTeam parallelTeam, final int lowerBound, final int upperBound) {
117 // Intentionally left empty: handled atomically by SharedDoubleArray.
118 }
119
120 /**
121 * {@inheritDoc}
122 */
123 @Override
124 public void reset(final int threadID, final int lowerBound, final int upperBound) {
125 resetSerially(lowerBound, upperBound);
126 }
127
128 /**
129 * Reset elements serially to 0.0 in the given range.
130 *
131 * @param lowerBound inclusive start index.
132 * @param upperBound inclusive end index.
133 */
134 private void resetSerially(final int lowerBound, final int upperBound) {
135 for (int i = lowerBound; i <= upperBound; i++) {
136 array.set(i, 0.0);
137 }
138 }
139
140 /**
141 * {@inheritDoc}
142 */
143 @Override
144 public void reset(final ParallelTeam parallelTeam, final int lowerBound, final int upperBound) {
145 try {
146 parallelTeam.execute(
147 new ParallelRegion() {
148 @Override
149 public void run() throws Exception {
150 execute(
151 lowerBound,
152 upperBound,
153 new IntegerForLoop() {
154 @Override
155 public void run(final int first, final int last) {
156 resetSerially(first, last);
157 }
158 });
159 }
160 });
161 } catch (Exception e) {
162 logger.log(Level.WARNING, "Exception resetting a PJDoubleArray", e);
163 }
164 }
165
166 /**
167 * {@inheritDoc}
168 */
169 @Override
170 public void scale(final int threadID, final int index, final double value) {
171 final double current = array.get(index);
172 array.getAndSet(index, current * value);
173 }
174
175 /**
176 * {@inheritDoc}
177 */
178 @Override
179 public void set(final int threadID, final int index, final double value) {
180 array.getAndSet(index, value);
181 }
182
183 /**
184 * {@inheritDoc}
185 */
186 @Override
187 public int size() {
188 return arraySize;
189 }
190
191 /**
192 * {@inheritDoc}
193 */
194 @Override
195 public void sub(final int threadID, final int index, final double value) {
196 array.getAndAdd(index, -value);
197 }
198 }