Package ffx.algorithms.thermodynamics

Class SendSynchronous

java.lang.Object

ffx.algorithms.thermodynamics.SendSynchronous

public class SendSynchronous
extends Object

Synchronous (blocking) communication of OST counts.

Since:

1.0

Author:

Michael J. Schnieders

Field Summary

Fields

Modifier and Type	Field	Description
protected final int	rank	Rank of this process.
protected final Comm	world	Parallel Java world communicator.

Constructor Summary

Constructors

Constructor	Description
SendSynchronous(OrthogonalSpaceTempering.Histogram[] histograms, int[] rankToHistogramMap)	Synchronous Communication Constructor.

Method Summary

Modifier and Type	Method	Description
int	getHistogramIndex()
void	send(double lambda, double dUdL, double temperingWeight)	Send an OST count to all other processes while also receiving an OST count from all other processes.
void	setHistograms(OrthogonalSpaceTempering.Histogram[] histograms, int[] rankToHistogramMap)	Update the synchronous communication histograms.
void	updateRanks(int[] updatedRankToHisto)	Update the map of rank-to-histogram.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

world

protected final Comm world

Parallel Java world communicator.

rank

protected final int rank

Rank of this process.

Constructor Details

SendSynchronous

public SendSynchronous(OrthogonalSpaceTempering.Histogram[] histograms,
 int[] rankToHistogramMap)

Synchronous Communication Constructor.

Parameters:

histograms - An array of Bias Histograms.

rankToHistogramMap - A map from process rank to Histogram.

Method Details

getHistogramIndex

public int getHistogramIndex()

send

public void send(double lambda,
 double dUdL,
 double temperingWeight)

Send an OST count to all other processes while also receiving an OST count from all other processes.

Parameters:

lambda - Current value of lambda.

dUdL - Current value of dU/dL.

temperingWeight - Current value of the temperingWeight.

setHistograms

public void setHistograms(OrthogonalSpaceTempering.Histogram[] histograms,
 int[] rankToHistogramMap)

Update the synchronous communication histograms.

Parameters:

histograms - Histograms in use.

rankToHistogramMap - Map from rank to histogram.

updateRanks

public void updateRanks(int[] updatedRankToHisto)

Update the map of rank-to-histogram.

Parameters:

updatedRankToHisto - Updated rank-to-histogram mappings.