Commit 88e464c2 authored by Gregor Michalicek's avatar Gregor Michalicek

Fixed missing allocation of specialPoints array in XML code path

parent 511d7f08
...@@ -464,6 +464,7 @@ SUBROUTINE r_inpXML(& ...@@ -464,6 +464,7 @@ SUBROUTINE r_inpXML(&
END IF END IF
kpts%numSpecialPoints = numberNodes kpts%numSpecialPoints = numberNodes
IF(kpts%numSpecialPoints.GE.2) THEN IF(kpts%numSpecialPoints.GE.2) THEN
DEALLOCATE(kpts%specialPoints)
ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints)) ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints))
ALLOCATE(kpts%specialPointNames(kpts%numSpecialPoints)) ALLOCATE(kpts%specialPointNames(kpts%numSpecialPoints))
DO i = 1, kpts%numSpecialPoints DO i = 1, kpts%numSpecialPoints
......
...@@ -99,14 +99,15 @@ ...@@ -99,14 +99,15 @@
ENDIF ENDIF
input%l_inpXML = .FALSE. input%l_inpXML = .FALSE.
kpts%numSpecialPoints = 1
kpts%ntet = 1 kpts%ntet = 1
kpts%numSpecialPoints = 1
INQUIRE (file='inp.xml',exist=input%l_inpXML) INQUIRE (file='inp.xml',exist=input%l_inpXML)
IF(.NOT.juDFT_was_argument("-xmlInput")) THEN IF(.NOT.juDFT_was_argument("-xmlInput")) THEN
input%l_inpXML = .FALSE. input%l_inpXML = .FALSE.
END IF END IF
IF (input%l_inpXML) THEN IF (input%l_inpXML) THEN
IF (mpi%irank.EQ.0) THEN IF (mpi%irank.EQ.0) THEN
ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints))
ALLOCATE(noel(1),atomTypeSpecies(1),speciesRepAtomType(1)) ALLOCATE(noel(1),atomTypeSpecies(1),speciesRepAtomType(1))
ALLOCATE(xmlElectronStates(1,1),xmlPrintCoreStates(1,1)) ALLOCATE(xmlElectronStates(1,1),xmlPrintCoreStates(1,1))
ALLOCATE(xmlCoreOccs(1,1,1)) ALLOCATE(xmlCoreOccs(1,1,1))
......
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