Commit bb5d61a1 by Francois Gygi

rel1_43_1


git-svn-id: http://qboxcode.org/svn/qb/trunk@605 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 9bf1a28a
////////////////////////////////////////////////////////////////////////////////
//
// SharedFilePtr.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: SharedFilePtr.h,v 1.1 2008-04-15 01:38:12 fgygi Exp $
#ifndef SHAREDFILEPTR_H
#define SHAREDFILEPTR_H
#include "mpi.h"
class SharedFilePtr
{
private:
MPI_Comm comm_;
MPI_File& fh_;
long long int offset_;
public:
MPI_File& file(void) { return fh_; }
long long int offset(void) const { return offset_; }
MPI_Offset mpi_offset(void) const { return (MPI_Offset) offset_; }
void sync(void)
{
// set all offsets to the largest offset
long long int s_off = offset_;
MPI_Allreduce(&s_off,&offset_,1,MPI_LONG_LONG,MPI_MAX,comm_);
}
void set_offset(long long int off)
{
offset_ = off;
}
void advance(long long int dist)
{
offset_ += dist;
}
SharedFilePtr(MPI_Comm comm, MPI_File& fh) : comm_(comm),
fh_(fh), offset_(0) {}
~SharedFilePtr() {}
};
#endif
--------------------------------------------------------------------------------
rel1_43_1
BOSampleStepper.C, CPSampleStepper.C: fixed initialization of ekin_ion,temp_ion.
SampleWriter.C, Wavefunction.C, SlaterDet.C: implementation of parallel I/O
using SharedFilePtr class.
--------------------------------------------------------------------------------
rel1_43_0
SampleWriter.C, Wavefunction.C, SlaterDet.C: implemented MPI-IO parallel I/O
using individual file pointers, no shared pointers.
......@@ -10,7 +15,7 @@ SlaterDet.C, Wavefunction.C: implemented dynamic resize of ecut or nempty
without loss of data. Changes of cell also preserve wavefunctions.
--------------------------------------------------------------------------------
rel1_41_0
BOSampleStepper.C, CPSampleStepper.C: remove redundant printing of unicell
BOSampleStepper.C, CPSampleStepper.C: remove redundant printing of unitcell
LineMinimizer.h: new LineMinimizer class used in optimization algorithms
SDIonicStepper.C: back to simple dt^2/m steepest descent (back to rel1_39_0)
SDAIonicStepper.C: steepest descent with line minimization.
......
......@@ -3,10 +3,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.51 2008-04-11 05:35:00 fgygi Exp $
// $Id: release.C,v 1.52 2008-04-15 01:37:09 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.43.0");
return std::string("1.43.1");
}
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