Commit a45b09fe authored by Gregor Michalicek's avatar Gregor Michalicek

Moved input postprocessing out of mpi%irank==0 path

This is one more step towards using the parallelized calculation of the
stepfunction in the inp.xml code path.
parent 6cdae020
......@@ -52,6 +52,6 @@ init/setup.f90
init/stepf.F90
init/strgn.f90
init/brzone2.f90
init/postprocessInput.f90
init/postprocessInput.F90
init/initParallelProcesses.F90
)
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......@@ -142,10 +142,11 @@
kpts%ntet = 1
kpts%numSpecialPoints = 1
IF (input%l_inpXML) THEN
ALLOCATE(noel(1))
IF (mpi%irank.EQ.0) THEN
WRITE (6,*) 'XML code path used: Calculation parameters are stored in out.xml'
ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints))
ALLOCATE(noel(1),atomTypeSpecies(1),speciesRepAtomType(1))
ALLOCATE(atomTypeSpecies(1),speciesRepAtomType(1))
ALLOCATE(xmlElectronStates(1,1),xmlPrintCoreStates(1,1))
ALLOCATE(xmlCoreOccs(1,1,1))
namex = ' '
......@@ -175,15 +176,17 @@
atomTypeSpecies,speciesRepAtomType,.TRUE.,filename,&
.TRUE.,numSpecies,enpara)
CALL postprocessInput(input,sym,stars,atoms,vacuum,obsolete,kpts,&
oneD,hybrid,jij,cell,banddos,sliceplot,xcpot,&
noco,dimension,enpara,sphhar,l_opti,noel,l_kpts,&
l_gga)
DEALLOCATE(noel,atomTypeSpecies,speciesRepAtomType)
DEALLOCATE(atomTypeSpecies,speciesRepAtomType)
DEALLOCATE(xmlElectronStates,xmlPrintCoreStates,xmlCoreOccs)
END IF
CALL postprocessInput(mpi,input,sym,stars,atoms,vacuum,obsolete,kpts,&
oneD,hybrid,jij,cell,banddos,sliceplot,xcpot,&
noco,dimension,enpara,sphhar,l_opti,noel,l_kpts,&
l_gga)
DEALLOCATE(noel)
#ifdef CPP_MPI
CALL initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
DIMENSION,cell,sym,xcpot,noco,jij,oneD,hybrid,&
......
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