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Removed some extraneous printing. 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@2619 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Ken Esler 2008-04-20 19:42:33 +00:00
parent e52b80f215
commit 09ccfbc4a4
2 changed files with 19 additions and 33 deletions
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1
src/Message/CommOperators.h
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@ -332,7 +332,6 @@ template<>
inline void
Communicate::bcast(std::vector<APPNAMESPACE::TinyVector<double,3> > &g)
{
std::cerr << "vector<TinyVector<double,3> bcast.\n";
MPI_Bcast(&(g[0][0]), 3*g.size(), MPI_DOUBLE, 0, myMPI);
}

51
src/QMCWaveFunctions/EinsplineSetBuilder.cpp
View File

@ -169,8 +169,6 @@ namespace qmcplusplus {
void
EinsplineSetBuilder::BroadcastOrbitalInfo()
{
cerr << "Start BroadcastOrbitalInfo. rank = "
<< GroupComm->rank() <<"\n";
GroupComm->bcast(Version);
GroupComm->bcast(Lattice);
GroupComm->bcast(RecipLattice);
@ -193,8 +191,6 @@ namespace qmcplusplus {
GroupComm->bcast(TwistAngles);
GroupComm->bcast(HaveLocalizedOrbs);
cerr << "End BroadcastOrbitalInfo. rank = "
<< GroupComm->rank() <<"\n";
}
SPOSetBase*
@ -306,9 +302,7 @@ namespace qmcplusplus {
transpose(OrbitalSet->PrimLattice.G));
OrbitalSet->setOrbitalSetSize (numOrbs);
OrbitalSet->BasisSetSize = numOrbs;
cerr << "Before TileIons, rank() = " << GroupComm->rank() << endl;
TileIons();
cerr << "After TileIons, rank() = " << GroupComm->rank() << endl;
if (HaveLocalizedOrbs) {
EinsplineSetLocal *restrict orbitalSet =
@ -384,10 +378,12 @@ namespace qmcplusplus {
<< primPos.size()*numCopies << ". Aborting.\n";
abort();
}
fprintf (stderr, "Supercell ion positions = \n");
for (int i=0; i<IonPos.size(); i++)
fprintf (stderr, " [%12.6f %12.6f %12.6f]\n",
IonPos[i][0], IonPos[i][1], IonPos[i][2]);
if (GroupComm->rank() == 0) {
fprintf (stderr, "Supercell ion positions = \n");
for (int i=0; i<IonPos.size(); i++)
fprintf (stderr, " [%12.6f %12.6f %12.6f]\n",
IonPos[i][0], IonPos[i][1], IonPos[i][2]);
}
}
inline TinyVector<double,3>
@ -421,10 +417,6 @@ namespace qmcplusplus {
for (int i=0; i<3; i++)
for (int j=0; j<3; j++)
S(i,j) = (double)TileMatrix(i,j);
// if (GroupComm->rank() == 1)
// for (int i=0; i<TwistAngles.size(); i++)
// cerr << "TwistAngles[" << i << "] = " << TwistAngles[i] << endl;
vector<PosType> superFracs;
// This holds to which supercell kpoint each primitive k-point belongs
@ -456,7 +448,7 @@ namespace qmcplusplus {
}
}
int numSuperTwists = superFracs.size();
cerr << "Found " << numSuperTwists << " distinct supercell twists.\n";
app_log() << "Found " << numSuperTwists << " distinct supercell twists.\n";
// For each supercell twist, create a list of primitive twists which
// belong to it.
@ -465,14 +457,15 @@ namespace qmcplusplus {
for (int ki=0; ki<numPrimTwists; ki++)
superSets[superIndex[ki]].push_back(ki);
for (int si=0; si<numSuperTwists; si++) {
fprintf (stderr, "Super twist #%d: [ %9.5f %9.5f %9.5f ]\n",
si, superFracs[si][0], superFracs[si][1], superFracs[si][2]);
fprintf (stderr, " Using k-points: ");
for (int i=0; i<superSets[si].size(); i++)
fprintf (stderr, " %d", superSets[si][i]);
fprintf (stderr, "\n");
}
if (GroupComm->rank() == 0)
for (int si=0; si<numSuperTwists; si++) {
fprintf (stderr, "Super twist #%d: [ %9.5f %9.5f %9.5f ]\n",
si, superFracs[si][0], superFracs[si][1], superFracs[si][2]);
fprintf (stderr, " Using k-points: ");
for (int i=0; i<superSets[si].size(); i++)
fprintf (stderr, " %d", superSets[si][i]);
fprintf (stderr, "\n");
}
// Now check to see that each supercell twist has the right twists
// to tile the primitive cell orbitals.
@ -549,8 +542,9 @@ namespace qmcplusplus {
if (TwistPair(twist_i, twist_j))
MakeTwoCopies[i] = true;
}
fprintf (stderr, "Using %d copies of twist angle [%6.3f, %6.3f, %6.3f]\n",
MakeTwoCopies[i] ? 2 : 1, twist_i[0], twist_i[1], twist_i[2]);
if (GroupComm->rank() == 0)
fprintf (stderr, "Using %d copies of twist angle [%6.3f, %6.3f, %6.3f]\n",
MakeTwoCopies[i] ? 2 : 1, twist_i[0], twist_i[1], twist_i[2]);
}
#else
DistinctTwists.resize(IncludeTwists.size());
@ -755,7 +749,6 @@ namespace qmcplusplus {
// Read in the occupied bands
orbitalSet->Orbitals.resize(orbitalSet->getOrbitalSetSize());
cerr << "Orbitals size = " << orbitalSet->Orbitals.size() << endl;
int iorb = 0;
int iband = 0;
while (iorb < orbitalSet->getOrbitalSetSize()) {
@ -995,12 +988,6 @@ namespace qmcplusplus {
int nx, ny, nz, bi, ti;
Array<complex<double>,3> splineData, rawData;
if (root) {
string eigenstatesGroup;
if (Version[0]==0 && Version[1]== 11)
eigenstatesGroup = "/eigenstates_3";
else if (Version[0]==0 && Version[1]==20)
eigenstatesGroup = "/eigenstates";
// Find the orbital mesh size
ti = SortBands[0].TwistIndex;
bi = SortBands[0].BandIndex;