suppressed more print statements when reproducible output is set to t…

…rue. Also added more tests.

setup.sh

@@ -21,18 +21,18 @@ if [ $optimizedMode == 1 ]; then
  cd build
  cd release
  echo -e "${Blu}Building Non-Periodic executable in Optimized (Release) mode...${RCol}"
- mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ..
+ mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Periodic executable in Optimized (Release) mode...${RCol}"
- mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ../..
+ mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  else
  rm -rf build/release
  echo -e "${Blu}Creating build directory...${RCol}"
  mkdir -p build && cd build
  mkdir -p release && cd release
  echo -e "${Blu}Building Non-Periodic executable in Optimized (Release) mode...${RCol}"
- mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ..
+ mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Periodic executable in Optimized (Release) mode...${RCol}"
- mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ../..
+ mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_CXX_FLAGS_RELEASE="-O3" -DCMAKE_BUILD_TYPE=Release -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  fi
 else
  if [ -d "build/debug" ]; then
@@ -41,18 +41,18 @@ else
  cd build
  cd debug
  echo -e "${Blu}Building Non-Periodic executable in Debug mode...${RCol}"
- mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ..
+ mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Periodic executable in Debug mode...${RCol}"
- mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ../..
+ mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  else
  rm -rf build/debug
  echo -e "${Blu}Creating build directory...${RCol}"
  mkdir -p build && cd build
  mkdir -p debug && cd debug
  echo -e "${Blu}Building Non-Periodic executable in Debug mode...${RCol}"
- mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ..
+ mkdir -p nonPeriodic && cd nonPeriodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscRealDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ..
  echo -e "${Blu}Building Periodic executable in Debug mode...${RCol}"
- mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make && cd ../..
+ mkdir -p periodic && cd periodic && cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_BUILD_TYPE=Debug -DDEAL_II_DIR=$dealiiPetscComplexDir -DALGLIB_DIR=$alglibDir -DLIBXC_DIR=$libxcDir -DSPGLIB_DIR=$spglibDir ../../../. && make -j 4 && cd ../..
  fi
 fi
 echo -e "${Blu}Build complete.${RCol}"

src/dft/initkPointData.cc

@@ -30,8 +30,8 @@ namespace internaldft{
  return crossProduct;
  }
 
- std::vector<std::vector<double> > getReciprocalLatticeVectors(const std::vector<std::vector<double> > & latticeVectors) 
- 
+ std::vector<std::vector<double> > getReciprocalLatticeVectors(const std::vector<std::vector<double> > & latticeVectors)
+
  {
  std::vector<std::vector<double> > reciprocalLatticeVectors(3,std::vector<double> (3,0.0));
  for(unsigned int i = 0; i < 2; ++i)
@@ -105,13 +105,13 @@ template<unsigned int FEOrder>
 void dftClass<FEOrder>::recomputeKPointCoordinates()
 {
  // Get the reciprocal lattice vectors
- d_reciprocalLatticeVectors=internaldft::getReciprocalLatticeVectors(d_domainBoundingVectors); 
+ d_reciprocalLatticeVectors=internaldft::getReciprocalLatticeVectors(d_domainBoundingVectors);
  // Convert from crystal to Cartesian coordinates
  for(unsigned int i = 0; i < d_maxkPoints; ++i)
  for (unsigned int d=0; d < 3; ++d)
  d_kPointCoordinates[3*i + d] = kPointReducedCoordinates[3*i+0]*d_reciprocalLatticeVectors[0][d] +
  kPointReducedCoordinates[3*i+1]*d_reciprocalLatticeVectors[1][d] +
- kPointReducedCoordinates[3*i+2]*d_reciprocalLatticeVectors[2][d]; 
+ kPointReducedCoordinates[3*i+2]*d_reciprocalLatticeVectors[2][d];
 }
 
 template<unsigned int FEOrder>
@@ -167,7 +167,7 @@ void dftClass<FEOrder>::generateMPGrid()
  int rotation[max_size][3][3];
  //
  ////////////////////////////////////////// SPG CALL ///////////////////////////////////////////////////
- if (dftParameters::useSymm) { 
+ if (dftParameters::useSymm) {
  const int num_atom = atomLocationsFractional.size();
  double lattice[3][3], position[num_atom][3];
  int types[num_atom] ;
@@ -187,7 +187,8 @@ void dftClass<FEOrder>::generateMPGrid()
  position[i][j] = atomLocationsFractional[i][j+2] ;
  }
  //
- pcout<<" getting space group symmetries from spg " << std::endl;
+ if (!dftParameters::reproducible_output)
+ pcout<<" getting space group symmetries from spg " << std::endl;
  symmetryPtr->numSymm = spg_get_symmetry(rotation,
  (symmetryPtr->translation),
  max_size,
@@ -196,32 +197,36 @@ void dftClass<FEOrder>::generateMPGrid()
  types,
  num_atom,
  1e-5);
- pcout<<" number of symmetries allowed for the lattice " <<symmetryPtr->numSymm << std::endl;
- for (unsigned int iSymm=0; iSymm<symmetryPtr->numSymm; ++iSymm){
- pcout << " Symmetry " << iSymm+1 << std::endl;
- pcout << " Rotation " << std::endl;
- for (unsigned int ipol = 0; ipol<3; ++ipol)
- pcout << rotation[iSymm][ipol][0] << " " <<rotation[iSymm][ipol][1] << " " << rotation[iSymm][ipol][2] << std::endl;
- pcout << " translation " << std::endl;
- pcout << symmetryPtr->translation[iSymm][0] << " " <<symmetryPtr->translation[iSymm][1] << " " << symmetryPtr->translation[iSymm][2] << std::endl;
- pcout << " " << std::endl ;
+ if (!dftParameters::reproducible_output)
+ {
+ pcout<<" number of symmetries allowed for the lattice " <<symmetryPtr->numSymm << std::endl;
+ for (unsigned int iSymm=0; iSymm<symmetryPtr->numSymm; ++iSymm)
+ {
+ pcout << " Symmetry " << iSymm+1 << std::endl;
+ pcout << " Rotation " << std::endl;
+ for (unsigned int ipol = 0; ipol<3; ++ipol)
+ pcout << rotation[iSymm][ipol][0] << " " <<rotation[iSymm][ipol][1] << " " << rotation[iSymm][ipol][2] << std::endl;
+ pcout << " translation " << std::endl;
+ pcout << symmetryPtr->translation[iSymm][0] << " " <<symmetryPtr->translation[iSymm][1] << " " << symmetryPtr->translation[iSymm][2] << std::endl;
+ pcout << " " << std::endl ;
+ }
  }
  }
  //
- else { // only time reversal symmetry; no point group symmetry 
+ else { // only time reversal symmetry; no point group symmetry
  //
  symmetryPtr->numSymm = 1 ;
  for (unsigned int j=0; j<3; ++j) {
  for (unsigned int k=0; k<3; ++k) {
- if (j==k) 
+ if (j==k)
  rotation[0][j][k] = 1 ;
- else 
+ else
  rotation[0][j][k] = 0 ;
  }
  symmetryPtr->translation[0][j] = 0.0 ;
  }
- pcout<<" Only time reversal symmetry to be used " << std::endl;
-
+ if (!dftParameters::reproducible_output)
+ pcout<<" Only time reversal symmetry to be used " << std::endl;
  }
 
  //// adding time reversal //////
@@ -231,7 +236,7 @@ void dftClass<FEOrder>::generateMPGrid()
  for (unsigned int k=0; k<3; ++k)
  rotation[iSymm][j][k] = -1*rotation[iSymm-symmetryPtr->numSymm][j][k] ;
  symmetryPtr->translation[iSymm][j] = symmetryPtr->translation[iSymm-symmetryPtr->numSymm][j] ;
- } 
+ }
  }
  symmetryPtr->numSymm = 2*symmetryPtr->numSymm;
  }
@@ -330,39 +335,40 @@ void dftClass<FEOrder>::generateMPGrid()
  symmetryPtr->numSymm = usedSymm;
  symmetryPtr->symmUnderGroup.resize (d_maxkPoints, std::vector<int>(symmetryPtr->numSymm,0));
  symmetryPtr->numSymmUnderGroup.resize(d_maxkPoints,1) ; // minimum should be 1, because identity is always present
- for (unsigned int i=0; i<d_maxkPoints; ++i){
-  //
+ for (unsigned int i=0; i<d_maxkPoints; ++i)
+ {
  symmetryPtr->symmUnderGroup[i][0] = 1;
- for (unsigned int iSymm = 1; iSymm<(symmetryPtr->numSymm); ++iSymm) {
+ for (unsigned int iSymm = 1; iSymm<(symmetryPtr->numSymm); ++iSymm)
+ {
  if(std::find(symmUnderGroupTemp[iSymm].begin(), symmUnderGroupTemp[iSymm].end(), i) != symmUnderGroupTemp[iSymm].end()) {
  symmetryPtr->symmUnderGroup[i][iSymm] = 1 ;
  symmetryPtr->numSymmUnderGroup[i] += 1 ;
- }
- }
- if (dftParameters::verbosity==2)
- pcout << " kpoint " << i << " numSymmUnderGroup " << symmetryPtr->numSymmUnderGroup[i] << std::endl;
- }
- //
- pcout<<" " << usedSymm << " symmetries used to reduce BZ " << std::endl;
- for (unsigned int iSymm = 0; iSymm < symmetryPtr->numSymm; ++iSymm)
- {
- for ( unsigned int ipol = 0; ipol<3; ++ipol)
- {
- if (dftParameters::verbosity==2)
- pcout << symmetryPtr->symmMat[iSymm][ipol][0] << " " << symmetryPtr->symmMat[iSymm][ipol][1] << " " << symmetryPtr->symmMat[iSymm][ipol][2] << std::endl;
- }
+ }
+ }
+ if (dftParameters::verbosity==2)
+ pcout << " kpoint " << i << " numSymmUnderGroup " << symmetryPtr->numSymmUnderGroup[i] << std::endl;
  }
  //
- pcout<<" number of irreducible k-points " << d_maxkPoints << std::endl;
+ if (!dftParameters::reproducible_output)
+ {
+ pcout<<" " << usedSymm << " symmetries used to reduce BZ " << std::endl;
+ for (unsigned int iSymm = 0; iSymm < symmetryPtr->numSymm; ++iSymm)
+ for ( unsigned int ipol = 0; ipol<3; ++ipol)
+ {
+ if (dftParameters::verbosity==2)
+ pcout << symmetryPtr->symmMat[iSymm][ipol][0] << " " << symmetryPtr->symmMat[iSymm][ipol][1] << " " << symmetryPtr->symmMat[iSymm][ipol][2] << std::endl;
+ }
+ pcout<<" number of irreducible k-points " << d_maxkPoints << std::endl;
+
+ pcout<<"Reduced k-Point-coordinates and weights: "<<std::endl;
+ char buffer[100];
+ for(int i = 0; i < d_maxkPoints; ++i)
+ {
+ sprintf(buffer, " %5u: %12.5f %12.5f %12.5f %12.5f\n", i+1, kPointReducedCoordinates[3*i+0], kPointReducedCoordinates[3*i+1], kPointReducedCoordinates[3*i+2],d_kPointWeights[i]);
+ pcout << buffer;
+ }
  }
 
-
-
- pcout<<"Reduced k-Point-coordinates and weights: "<<std::endl;
- char buffer[100];
- for(int i = 0; i < d_maxkPoints; ++i){
- sprintf(buffer, " %5u: %12.5f %12.5f %12.5f %12.5f\n", i+1, kPointReducedCoordinates[3*i+0], kPointReducedCoordinates[3*i+1], kPointReducedCoordinates[3*i+2],d_kPointWeights[i]);
- pcout << buffer;
  }
 
  // Convert from crystal to Cartesian coordinates
@@ -379,7 +385,7 @@ void dftClass<FEOrder>::generateMPGrid()
  const unsigned int this_mpi_pool (Utilities::MPI::this_mpi_process(interpoolcomm)) ;
  std::vector<double> d_kPointCoordinatesGlobal(3*d_maxkPoints, 0.0) ;
  std::vector<double> d_kPointWeightsGlobal(d_maxkPoints, 0.0) ;
- std::vector<double> kPointReducedCoordinatesGlobal(3*d_maxkPoints, 0.0) ; 
+ std::vector<double> kPointReducedCoordinatesGlobal(3*d_maxkPoints, 0.0) ;
  for(unsigned int i = 0; i < d_maxkPoints; ++i)
  {
  for (unsigned int d=0; d < 3; ++d)
@@ -424,6 +430,6 @@ void dftClass<FEOrder>::generateMPGrid()
  //
  MPI_Scatterv(&(d_kPointCoordinatesGlobal[0]),&(sendSizekPoints1[0]), &(mpiOffsetskPoints1[0]), MPI_DOUBLE, &(d_kPointCoordinates[0]), 3*d_maxkPoints, MPI_DOUBLE, 0, interpoolcomm);
  MPI_Scatterv(&(d_kPointWeightsGlobal[0]),&(sendSizekPoints2[0]), &(mpiOffsetskPoints2[0]), MPI_DOUBLE, &(d_kPointWeights[0]), d_maxkPoints, MPI_DOUBLE, 0, interpoolcomm);
- MPI_Scatterv(&(kPointReducedCoordinatesGlobal[0]),&(sendSizekPoints1[0]), &(mpiOffsetskPoints1[0]), MPI_DOUBLE, &(kPointReducedCoordinates[0]), 3*d_maxkPoints, MPI_DOUBLE, 0, interpoolcomm); 
+ MPI_Scatterv(&(kPointReducedCoordinatesGlobal[0]),&(sendSizekPoints1[0]), &(mpiOffsetskPoints1[0]), MPI_DOUBLE, &(kPointReducedCoordinates[0]), 3*d_maxkPoints, MPI_DOUBLE, 0, interpoolcomm);
 
 }

tests/dft/pseudopotential/nonPeriodic/aluminumSingleAtom_01.mpirun=3.output

@@ -1,5 +1,3 @@
-Number of pools: 1
-Pool size (number of MPI processes for domain decomposition): 3
 number of atoms: 1
 number of atoms types: 1
 Z:13

tests/dft/pseudopotential/nonPeriodic/aluminumSingleAtom_01.output

@@ -1,5 +1,3 @@
-Number of pools: 1
-Pool size (number of MPI processes for domain decomposition): 1
 number of atoms: 1
 number of atoms types: 1
 Z:13

tests/dft/pseudopotential/periodic/hcpMgPrim_01.mpirun=3.output

@@ -1,21 +1,11 @@
-Number of pools: 1
-Pool size (number of MPI processes for domain decomposition): 3
 number of atoms: 2
 number of atoms types: 1
 Z:12
 =============================================================================================================================
 number of electrons: 20
 number of eigen values: 20
 =============================================================================================================================
-Total number of k-points 8
- Only time reversal symmetry to be used 
- 2 symmetries used to reduce BZ 
- number of irreducible k-points 4
-Reduced k-Point-coordinates and weights: 
- 1: 0.25000 0.25000 0.25000 0.25000
- 2: 0.25000 0.25000 -0.25000 0.25000
- 3: 0.25000 -0.25000 0.25000 0.25000
- 4: 0.25000 -0.25000 -0.25000 0.25000
+Total number of k-points 2
 -----------Domain bounding vectors (lattice vectors in fully periodic case)-------------
 v1 : 5.882191053999999752e+00 0.000000000000000000e+00 0.000000000000000000e+00
 v2 : -2.941095526999999876e+00 5.094126882677563195e+00 0.000000000000000000e+00
@@ -41,21 +31,21 @@ Reading initial guess for rho.....
 Pseuodopotential initalization....
 
 Starting SCF iteration....
-SCF iteration converged to the specified tolerance after: 12 iterations.
+SCF iteration converged to the specified tolerance after: 14 iterations.
 
 Energy computations (Hartree) 
 -------------------
- Total energy: -108.32962405
+ Total energy: -108.71470445
 
 Absolute values of ion forces (Hartree/Bohr)
 --------------------------------------------------------------------------------------------
-AtomId 0: 0.001672,0.000965,0.003417
-AtomId 1: 0.003485,0.002012,0.003418
+AtomId 0: 0.000044,0.000025,0.003542
+AtomId 1: 0.005210,0.003008,0.003543
 --------------------------------------------------------------------------------------------
 
 Absolute value of cell stress (Hartree/Bohr^3)
 ------------------------------------------------------------------------
-0.001776 0.001533 0.000001
-0.001533 0.000006 0.000001
-0.000001 0.000001 0.000773
+0.002550 0.000981 0.000000
+0.000981 0.001417 0.000000
+0.000000 0.000000 0.000632
 ------------------------------------------------------------------------

tests/dft/pseudopotential/periodic/hcpMgPrim_01.prm.in

@@ -37,11 +37,11 @@ end
 subsection Brillouin zone k point sampling options
 
  subsection Monkhorst-Pack (MP) grid generation
- set SAMPLING POINTS 1 = 2
- set SAMPLING POINTS 2 = 2
+ set SAMPLING POINTS 1 = 1
+ set SAMPLING POINTS 2 = 1
  set SAMPLING POINTS 3 = 2
- set SAMPLING SHIFT 1 = 0.25
- set SAMPLING SHIFT 2 = 0.25
+ set SAMPLING SHIFT 1 = 0.0
+ set SAMPLING SHIFT 2 = 0.0
  set SAMPLING SHIFT 3 = 0.25
  end
 
@@ -63,7 +63,7 @@ end
 
 subsection SCF parameters
  set MAXIMUM ITERATIONS = 100 
- set TOLERANCE = 1e-6
+ set TOLERANCE = 1e-7
  set ANDERSON SCHEME MIXING PARAMETER = 0.5
  set ANDERSON SCHEME MIXING HISTORY = 70
  set TEMPERATURE = 500

utils/dftUtils.cc

@@ -78,7 +78,7 @@ namespace dftUtils
  const unsigned int taskId = dealii::Utilities::MPI::this_mpi_process(mpi_communicator);
 
  // FIXME: any and all terminal output should be optional
- if (taskId == 0)
+ if (taskId == 0 && dftParameters::verbosity>=2)
  {
  std::cout<<"Number of pools: "<<npool<<std::endl;
  std::cout<<"Pool size (number of MPI processes for domain decomposition): "<<poolSize<<std::endl;