Write out MPI PE to out.xml iff CPP_MPI is defined.

cmake/Files_and_Targets.txt

@@ -49,7 +49,7 @@ init/tetcon.f init/kvecon.f
 
 set(inpgen_F90  io/xsf_io.f90
 global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 io/rw_inp.f90 juDFT/juDFT.F90
-juDFT/stop.F90 juDFT/time.F90 juDFT/init.F90 io/w_inpXML.f90 init/julia.f90 io/xmlOutput.f90)
+juDFT/stop.F90 juDFT/time.F90 juDFT/init.F90 io/w_inpXML.f90 init/julia.f90 io/xmlOutput.F90)
 
 set(fleur_SRC ${fleur_F90} ${fleur_F77})
 

io/CMakeLists.txt

@@ -20,5 +20,5 @@ io/wrtdop.f90
 io/w_inpXML.f90
 io/xsf_io.f90
 io/xmlIntWrapFort.f90
-io/xmlOutput.f90
+io/xmlOutput.F90
 )

io/xmlOutput.f90 → io/xmlOutput.F90

@@ -40,6 +40,10 @@ MODULE m_xmlOutput
 
       IMPLICIT NONE
 
+#ifdef CPP_MPI
+      include "mpif.h"
+      INTEGER::err,isize
+#endif
       CHARACTER(LEN=8)  :: date
       CHARACTER(LEN=10) :: time
       CHARACTER(LEN=10)  :: zone
@@ -58,6 +62,10 @@ MODULE m_xmlOutput
       WRITE (xmlOutputUnit,'(a)') '<?xml version="1.0" encoding="UTF-8" standalone="no"?>'
       WRITE (xmlOutputUnit,'(a)') '<fleurOutput fleurOutputVersion="0.27">'
       CALL writeXMLElement('programVersion',(/'version'/),(/version_const/))
+#ifdef CPP_MPI
+      CALL MPI_COMM_SIZE(MPI_COMM_WORLD,isize,err)
+      CALL writeXMLElementPoly('parallelizationParameters',(/'mpiPEs'/),(/isize/))
+#endif
       CALL writeXMLElement('startDateAndTime',(/'date','time','zone'/),(/dateString,timeString,zone/))
    END SUBROUTINE startXMLOutput