use of edu.rit.pj.ParallelRegion in project ffx by mjschnie.
the class SimplePDBMatcher method matchParallel.
public void matchParallel() {
try {
new ParallelTeam().execute(new ParallelRegion() {
@Override
public void run() throws Exception {
execute(0, sourceFiles.length, new IntegerForLoop() {
@Override
public void run(int lb, int ub) {
PDBFileReader reader = new PDBFileReader();
StructurePairAligner aligner = new StructurePairAligner();
for (int i = lb; i <= ub; i++) {
File matchFile = matchFiles[i];
try {
Structure matchStructure = reader.getStructure(matchFiles[i]);
String matchName = matchFile.getName();
matchedSources[i] = loopOverSources(reader, aligner, matchStructure, matchName);
} catch (IOException ex) {
logger.warning(String.format(" Matching failed for file %s", matchFile.getName()));
}
}
}
});
}
});
} catch (Exception ex) {
logger.severe(" Matching in parallel failed.");
}
for (int i = 0; i < matchFiles.length; i++) {
logger.info(String.format(" Match file %s best source: %s at %11.7f A", matchFiles[i].getName(), matchedSources[i].file.getName(), matchedSources[i].rmsd));
}
}
use of edu.rit.pj.ParallelRegion in project ffx by mjschnie.
the class Complex3DParallel method main.
/**
* Test the Complex3DParallel FFT.
*
* @param args an array of {@link java.lang.String} objects.
* @throws java.lang.Exception if any.
* @since 1.0
*/
public static void main(String[] args) throws Exception {
int dimNotFinal = 128;
int ncpu = ParallelTeam.getDefaultThreadCount();
int reps = 5;
if (args != null) {
try {
dimNotFinal = Integer.parseInt(args[0]);
if (dimNotFinal < 1) {
dimNotFinal = 100;
}
ncpu = Integer.parseInt(args[1]);
if (ncpu < 1) {
ncpu = ParallelTeam.getDefaultThreadCount();
}
reps = Integer.parseInt(args[2]);
if (reps < 1) {
reps = 5;
}
} catch (Exception e) {
}
}
final int dim = dimNotFinal;
System.out.println(String.format("Initializing a %d cubed grid for %d CPUs.\n" + "The best timing out of %d repititions will be used.", dim, ncpu, reps));
// One dimension of the serial array divided by the number of threads.
Complex3D complexDoubleFFT3D = new Complex3D(dim, dim, dim);
ParallelTeam parallelTeam = new ParallelTeam(ncpu);
Complex3DParallel parallelComplexDoubleFFT3D = new Complex3DParallel(dim, dim, dim, parallelTeam);
final int dimCubed = dim * dim * dim;
final double[] data = new double[dimCubed * 2];
final double[] work = new double[dimCubed * 2];
// Parallel Array Initialization.
try {
parallelTeam.execute(new ParallelRegion() {
@Override
public void run() {
try {
execute(0, dim - 1, new IntegerForLoop() {
@Override
public void run(final int lb, final int ub) {
Random randomNumberGenerator = new Random(1);
int index = dim * dim * lb * 2;
for (int i = lb; i <= ub; i++) {
for (int j = 0; j < dim; j++) {
for (int k = 0; k < dim; k++) {
double randomNumber = randomNumberGenerator.nextDouble();
data[index] = randomNumber;
index += 2;
}
}
}
}
});
} catch (Exception e) {
System.out.println(e.toString());
System.exit(-1);
}
}
});
} catch (Exception e) {
System.out.println(e.toString());
System.exit(-1);
}
double toSeconds = 0.000000001;
long parTime = Long.MAX_VALUE;
long seqTime = Long.MAX_VALUE;
complexDoubleFFT3D.setRecip(work);
parallelComplexDoubleFFT3D.setRecip(work);
for (int i = 0; i < reps; i++) {
System.out.println(String.format("Iteration %d", i + 1));
long time = System.nanoTime();
complexDoubleFFT3D.fft(data);
complexDoubleFFT3D.ifft(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Sequential: %8.3f", toSeconds * time));
if (time < seqTime) {
seqTime = time;
}
time = System.nanoTime();
complexDoubleFFT3D.convolution(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Sequential: %8.3f (Convolution)", toSeconds * time));
if (time < seqTime) {
seqTime = time;
}
time = System.nanoTime();
parallelComplexDoubleFFT3D.fft(data);
parallelComplexDoubleFFT3D.ifft(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Parallel: %8.3f", toSeconds * time));
if (time < parTime) {
parTime = time;
}
time = System.nanoTime();
parallelComplexDoubleFFT3D.convolution(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Parallel: %8.3f (Convolution)\n", toSeconds * time));
if (time < parTime) {
parTime = time;
}
}
System.out.println(String.format("Best Sequential Time: %8.3f", toSeconds * seqTime));
System.out.println(String.format("Best Parallel Time: %8.3f", toSeconds * parTime));
System.out.println(String.format("Speedup: %15.5f", (double) seqTime / parTime));
parallelTeam.shutdown();
}
use of edu.rit.pj.ParallelRegion in project ffx by mjschnie.
the class Real3DParallel method main.
/**
* Test the real 3D FFT.
*
* @param args an array of {@link java.lang.String} objects.
* @throws java.lang.Exception if any.
* @since 1.0
*/
public static void main(String[] args) throws Exception {
int dimNotFinal = 128;
int ncpu = ParallelTeam.getDefaultThreadCount();
int reps = 5;
if (args != null) {
try {
dimNotFinal = Integer.parseInt(args[0]);
if (dimNotFinal < 1) {
dimNotFinal = 100;
}
ncpu = Integer.parseInt(args[1]);
if (ncpu < 1) {
ncpu = ParallelTeam.getDefaultThreadCount();
}
reps = Integer.parseInt(args[2]);
if (reps < 1) {
reps = 5;
}
} catch (Exception e) {
}
}
if (dimNotFinal % 2 != 0) {
dimNotFinal++;
}
final int dim = dimNotFinal;
System.out.println(String.format("Initializing a %d cubed grid for %d CPUs.\n" + "The best timing out of %d repititions will be used.", dim, ncpu, reps));
Real3D real3D = new Real3D(dim, dim, dim);
ParallelTeam parallelTeam = new ParallelTeam(ncpu);
Real3DParallel real3DParallel = new Real3DParallel(dim, dim, dim, parallelTeam);
final int dimCubed = (dim + 2) * dim * dim;
final double[] data = new double[dimCubed];
final double[] work = new double[dimCubed];
// Parallel Array Initialization.
try {
parallelTeam.execute(new ParallelRegion() {
@Override
public void run() {
try {
execute(0, dim - 1, new IntegerForLoop() {
@Override
public void run(int lb, int ub) {
Random randomNumberGenerator = new Random(1);
int index = dim * dim * lb;
for (int z = lb; z <= ub; z++) {
for (int y = 0; y < dim; y++) {
for (int x = 0; x < dim; x++) {
double randomNumber = randomNumberGenerator.nextDouble();
data[index] = randomNumber;
index++;
}
}
}
}
});
} catch (Exception e) {
System.out.println(e.toString());
System.exit(-1);
}
}
});
} catch (Exception e) {
System.out.println(e.toString());
System.exit(-1);
}
double toSeconds = 0.000000001;
long parTime = Long.MAX_VALUE;
long seqTime = Long.MAX_VALUE;
real3D.setRecip(work);
real3DParallel.setRecip(work);
for (int i = 0; i < reps; i++) {
System.out.println(String.format("Iteration %d", i + 1));
long time = System.nanoTime();
real3D.fft(data);
real3D.ifft(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Sequential: %8.3f", toSeconds * time));
if (time < seqTime) {
seqTime = time;
}
time = System.nanoTime();
real3D.convolution(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Sequential: %8.3f (Convolution)", toSeconds * time));
if (time < seqTime) {
seqTime = time;
}
time = System.nanoTime();
real3DParallel.fft(data);
real3DParallel.ifft(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Parallel: %8.3f", toSeconds * time));
if (time < parTime) {
parTime = time;
}
time = System.nanoTime();
real3DParallel.convolution(data);
time = (System.nanoTime() - time);
System.out.println(String.format("Parallel: %8.3f (Convolution)\n", toSeconds * time));
if (time < parTime) {
parTime = time;
}
}
System.out.println(String.format("Best Sequential Time: %8.3f", toSeconds * seqTime));
System.out.println(String.format("Best Parallel Time: %8.3f", toSeconds * parTime));
System.out.println(String.format("Speedup: %15.5f", (double) seqTime / parTime));
}
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