include memory information and exempt debugging runs

cmake/Files_and_Targets.txt

@@ -62,7 +62,7 @@ set(inpgen_F90  ${inpgen_F90} global/constants.f90 io/xsf_io.f90
 eigen/orthoglo.F90 juDFT/usage_data.F90 math/ylm4.F90
 global/sort.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 inpgen/inpgen_help.f90 io/rw_inp.f90 juDFT/juDFT.F90 global/find_enpara.f90
 inpgen/closure.f90 inpgen/inpgen_arguments.F90
-juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90 io/w_inpXML.f90 kpoints/julia.f90 global/utility.F90 
+juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90 juDFT/string.f90 io/w_inpXML.f90 kpoints/julia.f90 global/utility.F90 
 init/compile_descr.F90 kpoints/kpoints.f90 io/xmlOutput.F90 kpoints/brzone2.f90 cdn/slab_dim.f90 cdn/slabgeom.f90 dos/nstm3.f90 cdn/int_21.f90
 cdn/int_21lo.f90 cdn_mt/rhomt21.f90 cdn_mt/rhonmt21.f90 force/force_a21.F90 force/force_a21_lo.f90 force/force_a21_U.f90 force/force_a12.f90
 eigen/tlmplm_store.F90 kpoints/unfoldBandKPTS.f90)

cmake/compilerflags.cmake

@@ -12,7 +12,7 @@ if (${CMAKE_Fortran_COMPILER_ID} MATCHES "Intel")
       set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -qopenmp -assume byterecl")
    endif()     
    set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -xHost -O2 -g")
-   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g -ftrapuv -check uninit -check pointers -CB ")
+   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g -ftrapuv -check uninit -check pointers -CB -DCPP_DEBUG")
 elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "PGI")
    message("PGI Fortran detected")
    set(CMAKE_SHARED_LIBRARY_LINK_Fortran_FLAGS "") #fix problem in cmake
@@ -24,12 +24,12 @@ elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "PGI")
    #set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mp -Mr8 -Mr8intrinsics  -Mcuda:cuda9.0,cc70 -DUSE_STREAMS -DNUM_STREAMS=${N_STREAMS} -Minfo=accel -acc")
    #set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -fast -O3")
    set(CMAKE_Fortran_FLAGS_RELEASE "-O1 ") # to prevent cmake from putting -fast which auses problems with PGI18.4
-   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g -Mchkstk -Mchkptr -Ktrap=fp")
+   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g -Mchkstk -Mchkptr -Ktrap=fp -DCPP_DEBUG")
 elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "XL")
    message("IBM/BG Fortran detected")
    set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -qsmp=omp -qnosave -qarch=qp -qtune=qp -qrealsize=8 -qfixed -qsuppress=1520-022 -qessl") 
    set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -O4   -qsuppress=1500-036")
-   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG}  -O0 -g")
+   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG}  -O0 -g -DCPP_DEBUG")
    set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -I/bgsys/local/libxml2/include/libxml2")
    set(FLEUR_DEFINITIONS ${FLEUR_DEFINITIONS} "CPP_AIX")
    set(FLEUR_MPI_DEFINITIONS ${FLEUR_MPI_DEFINITIONS} "CPP_AIX")
@@ -40,5 +40,5 @@ elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "GNU")
    endif()
    set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -ffree-line-length-none -fopenmp -fdefault-real-8 ")
    set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -O1")
-   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -fdump-core -Wall -Wextra -Warray-temporaries  -fbacktrace -fcheck=all  -finit-real=nan -O0 -g")
+   set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -fdump-core -Wall -Wextra -Warray-temporaries  -fbacktrace -fcheck=all  -finit-real=nan -O0 -g -DCPP_DEBUG")
 endif()

juDFT/CMakeLists.txt

@@ -17,6 +17,7 @@ juDFT/info.F90
 juDFT/init.F90
 juDFT/juDFT.F90
 juDFT/stop.F90
+juDFT/string.f90
 juDFT/time.F90
 juDFT/args.F90
 juDFT/sysinfo.F90

juDFT/string.f90

+module m_juDFT_string
+   implicit none
+   character(len=3), parameter :: whitespaces = " " // achar(9) // achar(13) ! list of all whitespaces
+contains
+   function strip(input) result(output)
+      implicit none
+      character(len=*), intent(in)  :: input
+      character(:), allocatable     :: output
+
+      integer                       :: front, back
+
+      front = 1
+      do while(index(whitespaces, input(front:front)) /= 0 )
+         front = front + 1
+      enddo
+
+      back  = len(input)
+      do while(index(whitespaces, input(back:back)) /= 0)
+         back = back - 1
+      enddo
+
+      output = input(front:back)
+   end function strip
+end module m_juDFT_string

juDFT/usage_data.F90

@@ -7,7 +7,7 @@ MODULE m_judft_usage
    IMPLICIT NONE
    PRIVATE
    CHARACTER(LEN=99),PARAMETER:: URL_STRING="www.flapw.de/collect.pl"
-   INTEGER,PARAMETER :: MAX_NO_KEYS=20
+   INTEGER,PARAMETER :: MAX_NO_KEYS=40
    CHARACTER(LEN=200) :: keys(MAX_NO_KEYS)
    CHARACTER(LEN=200) :: values(MAX_NO_KEYS)
    INTEGER           :: no_keys=0
@@ -66,9 +66,10 @@ CONTAINS
    END SUBROUTINE add_usage_data_l
 
    SUBROUTINE send_usage_data()
+      use m_juDFT_args
       IMPLICIT NONE
       INTEGER            :: i,ierr,pid,dt(8)
-      CHARACTER(len=200) :: model, modelname
+      CHARACTER(len=200) :: model, modelname, VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap
       INTEGER(8)         :: r
 #ifdef CPP_MPI
       INCLUDE 'mpif.h'
@@ -79,10 +80,21 @@ CONTAINS
 
 !#ifdef CPP_ALLOW_USAGE_DATA
       r = random_id()
+
+      !add cpuinfos
       call get_cpuinfo(model, modelname)
       call add_usage_data("cpu_model", model)
       call add_usage_data("cpu_modelname", modelname)
 
+      !add meminfos
+      call get_meminfo(VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap)
+      call add_usage_data("VmPeak", VmPeak)
+      call add_usage_data("VmSize", VmSize)
+      call add_usage_data("VmData", VmData)
+      call add_usage_data("VmStk",  VmStk)
+      call add_usage_data("VmExe",  VmExe)
+      call add_usage_data("VmSwap", VmSwap)
+
       !First write a json file
       OPEN(unit=961,file="usage.json",status='replace')
       WRITE(961,*) '{'
@@ -96,17 +108,18 @@ CONTAINS
       WRITE(961,*) '}'
       CLOSE(961)
 
-#ifdef CPP_CURL
       IF (judft_was_argument("-no_send")) THEN
          PRINT *,"As requested by command line option usage data was not send, please send usage.json manually"
       ELSE
+#ifdef CPP_DEBUG
+         WRITE (*,*) "usage.json not send, because this is a debugging run."
+#else
          !Send using curl
-         CALL system('curl -H "Content-Type: application/json" --data @usage.json '\\URL_STRING)
+         !CALL system('curl -H "Content-Type: application/json" --data @usage.json '\\URL_STRING)
+         WRITE (*,*) "CURL call not yet implemented"
          PRINT *,"Usage data send using curl: usage.json"
-      ENDIF
-#else
-      PRINT *,'curl not found in compilation. Please send usage.json manually'
 #endif
+      ENDIF
 !#else
 !    PRINT *,"No usage data collected"
 !#endif
@@ -177,25 +190,36 @@ CONTAINS
       if(openstatus == 0) close(77)
    END SUBROUTINE get_cpuinfo
 
-   !SUBROUTINE get_meminfo(VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap)
-      !implicit none
-      !character(len=200), intent(out)   :: VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap
-      !character(len=1000)               :: line
-      !integer                           :: stat
+   SUBROUTINE get_meminfo(VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap)
+      use m_juDFT_string
+      implicit none
+      character(len=200), intent(out)   :: VmPeak, VmSize, VmData, VmStk, VmExe, VmSwap
+      character(len=1000)               :: line
+      integer                           :: openstat, readstat
 
    
-      !VmPeak = ""
-      !VmSize = ""
-      !VmData = ""
-      !VmStk  = ""
-      !VmExe  = ""
-      !VmSwap = ""
-
-      !open(unit=77, file="/proc/cpuinfo", iostat=stat)
-      !do while(stat == 0)
-         
-      !enddo
-
-   !END SUBROUTINE
+      VmPeak = ""
+      VmSize = ""
+      VmData = ""
+      VmStk  = ""
+      VmExe  = ""
+      VmSwap = ""
+
+      readstat = 0
+
+      open(unit=77, file="/proc/self/status", iostat=openstat)
+      do while(readstat == 0)
+         read(77,'(A)', iostat=readstat) line
+         if(index(line, "VmPeak") /= 0) VmPeak = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+         if(index(line, "VmSize") /= 0) VmSize = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+         if(index(line, "VmData") /= 0) VmData = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+         if(index(line, "VmStk")  /= 0) VmStk  = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+         if(index(line, "VmExe")  /= 0) VmExe  = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+         if(index(line, "VmSwap") /= 0) VmSwap = strip(line(index(line, ":")+1:index(line,"kB", back=.True.)-1))
+      enddo
+
+      if(openstat == 0) close(77)
+
+   END SUBROUTINE
 
 END MODULE m_judft_usage