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fleur
Commit 9e13b3d5 authored by Daniel Wortmann's avatar Daniel Wortmann
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Some work on juDFT subroutines to beautify them

parent b03d6d9f
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Showing with 266 additions and 159 deletions
juDFT/init.F90
View file @ 9e13b3d5
......@@ -49,18 +49,18 @@
INTEGER:: irank,ierr
CALL MPI_COMM_RANK (MPI_COMM_WORLD,irank,ierr)
WRITE(*,*) "Signal ",signal," detected on PE:",irank
WRITE(0,*) "Signal ",signal," detected on PE:",irank
#else
WRITE(*,*) "Signal detected:",signal
WRITE(0,*) "Signal detected:",signal
#endif
WRITE(*,*) "This might be due to either:"
WRITE(*,*) " - A bug in FLEUR"
WRITE(*,*) " - Your job running out of memory"
WRITE(*,*) " - Your job got killed externally (e.g. no cpu-time left)"
WRITE(*,*) " - ...."
WRITE(*,*) "Please check and report if you believe you found a bug"
WRITE(0,*) "This might be due to either:"
WRITE(0,*) " - A bug"
WRITE(0,*) " - Your job running out of memory"
WRITE(0,*) " - Your job got killed externally (e.g. no cpu-time left)"
WRITE(0,*) " - ...."
WRITE(0,*) "Please check and report if you believe you found a bug"
CALL writetimes()
CALL PRINT_memory_info()
CALL PRINT_memory_info(0,.true.)
#ifdef CPP_MPI
CALL MPI_ABORT(MPI_COMM_WORLD,ierr)
#endif
......
juDFT/stop.F90
View file @ 9e13b3d5
......@@ -45,11 +45,12 @@ CONTAINS
LOGICAL :: l_exist
INQUIRE(file=filename,exist=l_exist)
IF (.not.l_exist) CALL judft_error("File not readable:"//filename,hint="FLEUR wants to read a file that is not present",warning=warning)
IF (.not.l_exist) CALL judft_error("File not readable:"//filename,hint="You tried to read a file that is not present",warning=warning)
END SUBROUTINE judfT_file_readable
SUBROUTINE juDFT_error(message,calledby,hint,no,warning,file,line)
USE m_judft_usage
USE m_xmloutput
IMPLICIT NONE
CHARACTER*(*),INTENT(IN) :: message
CHARACTER*(*),OPTIONAL,INTENT(IN) :: calledby,hint
......@@ -58,18 +59,18 @@ CONTAINS
CHARACTER*(*),OPTIONAL,INTENT(IN) :: file
INTEGER,INTENT(IN),OPTIONAL :: line
LOGICAL :: callstop,warn
CHARACTER(LEN=4)::PE
!store all output in variable for single call to write in MPI case
CHARACTER(len=300)::text(10)
INTEGER ::linenr,n
LOGICAL :: callstop,warn,first_pe
INTEGER :: isize,irank,e,i
CHARACTER(len=100),ALLOCATABLE::message_list(:)
#ifdef CPP_MPI
include 'mpif.h'
INTEGER :: irank,e
LOGICAL :: first_parallel
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,e)
WRITE(PE,"(i4)") irank
CALL MPI_COMM_SIZE(MPI_COMM_WORLD,isize,e)
#else
PE=" ****"
first_pe=.TRUE.
isize=1
irank=0
#endif
warn = .FALSE.
IF (PRESENT(warning)) warn = warning
......@@ -79,60 +80,83 @@ CONTAINS
callstop=.false.
ELSE
INQUIRE(FILE ="JUDFT_WARN_ONLY",EXIST= callstop)
callstop = .NOT.callstop
ENDIF
ELSE
callstop = .TRUE.
ENDIF
IF (.NOT.warn) THEN
WRITE(text(1),*) PE,"**************juDFT-Error*****************"
ELSE
WRITE(text(1),*) PE,"************juDFT-Warning*****************"
ENDIF
WRITE(text(2),"(3a)") PE,"Error message:",message
linenr=3
IF (PRESENT(calledby)) THEN
WRITE(text(3),"(3a)") PE,"Error occurred in subroutine:",calledby
linenr=4
ENDIF
IF (PRESENT(hint)) THEN
WRITE(text(linenr),"(3a)") PE,"Hint:",hint
linenr=linenr+1
ENDIF
IF (PRESENT(no)) THEN
WRITE(text(linenr),"(2a,i0)") PE,"Error number:",no
linenr=linenr+1
ENDIF
IF (present(file)) THEN
if (present(line)) THEN
write(text(linenr),"(4a,i0)") PE,"Source:",file,":",line
#ifdef CPP_MPI
CALL collect_messages(message,message_list,first_pe)
#endif
IF (first_pe) THEN
IF (.NOT.warn) THEN
WRITE(0,'(a)') "**************juDFT-Error*****************"
ELSE
write(text(linenr),"(3a)") PE,"Source:",file
WRITE(0,'(a)') "************juDFT-Warning*****************"
ENDIF
WRITE(0,"(3a)") "Error message:",message
IF (PRESENT(calledby)) THEN
WRITE(0,"(3a)") "Error occurred in subroutine:",calledby
ENDIF
IF (PRESENT(hint)) THEN
WRITE(0,"(3a)") "Hint:",hint
ENDIF
IF (PRESENT(no)) THEN
WRITE(0,"(1a,i0)") "Error number:",no
ENDIF
linenr=linenr+1
IF (PRESENT(file)) THEN
IF (PRESENT(line)) THEN
WRITE(0,"(3a,i0)") "Source:",file,":",line
ELSE
WRITE(0,"(3a)") "Source:",file
ENDIF
ENDIF
#ifdef CPP_MPI
WRITE(0,'(a,i0,a,i0)') "Error from PE:",irank,"/",isize
first_parallel=.TRUE.
DO i=0,isize-1
IF (i==irank) CYCLE
IF (LEN_TRIM(message_list(i))>1)THEN
IF (first_parallel) THEN
WRITE(0,'(2a)') "Other PEs with error messages:"
first_parallel=.FALSE.
END IF
WRITE(0,'(a,i4,2a)') " ",i,"-",message_list(i)
END IF
END DO
#endif
WRITE(0,'(2a)') "*****************************************"
IF (.NOT.warn) CALL juDFT_time_lastlocation()
IF (callstop.and.warn) WRITE(0,'(a)')"Warnings not ignored. Touch 'JUDFT_WARN_ONLY' to make the warning nonfatal"
IF (callstop) THEN
CALL writetimes()
CALL print_memory_info(0,.TRUE.)
IF (irank==0) THEN
!Error on PE0 write info to out and out.xml
WRITE(6,*) "***************ERROR***************"
WRITE(6,*) message
WRITE(6,*) "***************ERROR***************"
CALL writeXMLElement('ERROR',(/"Message"/),(/message/))
!try closing the out file
CLOSE(6,iostat=e)
!Try closing the xml-out
CALL endXMLOutput()
ENDIF
END IF
ELSE
CALL priv_wait(2.0)
ENDIF
WRITE(text(linenr),*) PE,"*****************************************"
if (.not.warn) CALL juDFT_time_lastlocation(PE)
IF (callstop) THEN
IF (warn) THEN
linenr=linenr+1
WRITE(text(linenr),'(a)')"Warnings not ignored. Touch 'JUDFT_WARN_ONLY' to make the warning nonfatal"
ENDIF
WRITE(0,*)
WRITE(0,"(10(a,/))") (TRIM(text(n)),n=1,linenr)
CALL add_usage_data("Error",message)
!$OMP MASTER
CALL send_usage_data()
!$OMP END MASTER
CALL juDFT_STOP()
ENDIF
WRITE(0,*)
write(0,"(10(a,/))") (trim(text(n)),n=1,linenr)
END SUBROUTINE juDFT_error
SUBROUTINE juDFT_warn(message,calledby,hint,no,file,line)
......@@ -184,7 +208,7 @@ CONTAINS
WRITE(0,*) " ",message
WRITE(0,*) "*****************************************"
CALL writetimes()
CALL print_memory_info()
CALL print_memory_info(0,.true.)
CALL send_usage_data()
#ifdef CPP_MPI
IF(PRESENT(irank)) THEN
......@@ -209,7 +233,7 @@ CONTAINS
INTEGER, OPTIONAL, INTENT(IN) :: errorCode
INTEGER :: error
LOGICAL :: calltrace
LOGICAL,ALLOCATABLE:: a(:)
LOGICAL,ALLOCATABLE::a(:)
#ifdef CPP_MPI
INTEGER :: ierr
#endif
......@@ -218,10 +242,7 @@ CONTAINS
IF(PRESENT(errorCode)) THEN
error = errorCode
END IF
!try to print times
call writelocation()
CALL writetimes(.TRUE.)
CALL print_memory_info()
!Now try to generate a stack-trace if requested
INQUIRE(FILE="JUDFT_TRACE",EXIST=calltrace)
IF (judft_was_argument("-trace")) calltrace=.TRUE.
IF (error.EQ.1) calltrace = .TRUE.
......@@ -248,6 +269,59 @@ CONTAINS
END SUBROUTINE juDFT_stop
#ifdef CPP_MPI
SUBROUTINE collect_messages(mymessage,message_list,first_pe)
!This routine collects all error messages from all PE into an array
!As not all PE might call this routine we use non-blocking communication
!The integer first_pe is true if this pe is the one with the lowest rank among
!all having error messages to report
IMPLICIT NONE
CHARACTER(len=*),INTENT(IN) :: mymessage
CHARACTER(len=100),ASYNCHRONOUS,ALLOCATABLE,INTENT(OUT) :: message_list(:)
LOGICAL,INTENT(OUT) :: first_pe
INCLUDE 'mpif.h'
INTEGER:: irank,isize,ierr,i
LOGICAL:: completed
INTEGER,ALLOCATABLE::ihandle(:)
CHARACTER(len=100):: message
REAL :: t1,t2
message=mymessage
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,ierr)
CALL MPI_COMM_SIZE(MPI_COMM_WORLD,isize,ierr)
ALLOCATE(message_list(0:isize-1))
ALLOCATE(ihandle(0:isize-1))
message_list=""
!Announce that I have a message to all PE
DO i=0,isize-1
CALL MPI_ibsend(message,100,MPI_CHARACTER,i,999,MPI_COMM_WORLD,ihandle(0),ierr)
ENDDO
!Collect all message
DO i=0,isize-1
CALL MPI_irecv(message_list(i),100,MPI_CHARACTER,i,999,MPI_COMM_WORLD,ihandle(i),ierr)
ENDDO
!Wait for 2 seconds
CALL priv_wait(2.0)
!Check if any PE with a lower rank also reports an error
first_pe=.TRUE.
DO i=0,isize-1
CALL MPI_TEST(ihandle(i),completed,MPI_STATUS_IGNORE,ierr)
IF (i<irank) first_pe=first_pe.AND..NOT.completed
ENDDO
END SUBROUTINE collect_messages
#endif
SUBROUTINE priv_wait(sec)
!Simple routine to wait for sec-seconds
IMPLICIT NONE
REAL::sec,t1,t2
CALL cpu_TIME(t1)
t2=t1
DO WHILE(t2-t1<sec)
CALL cpu_TIME(t2)
ENDDO
END SUBROUTINE priv_wait
END MODULE m_juDFT_stop
juDFT/sysinfo.F90
View file @ 9e13b3d5
......@@ -10,78 +10,103 @@
#ifndef CPP_PAGESIZE
#define CPP_PAGESIZE 4096
#endif
MODULE m_judft_sysinfo
IMPLICIT NONE
CONTAINS
MODULE m_judft_sysinfo
IMPLICIT NONE
CONTAINS
!Dump status file into out file (should be done only at end of run)
SUBROUTINE print_memory_info()
IMPLICIT NONE
CHARACTER(LEN=1024):: line
INTEGER :: err,irank
!Dump status file into out file (should be done only at end of run)
SUBROUTINE print_memory_info(io,maxmem)
IMPLICIT NONE
INTEGER,INTENT(in) :: io
LOGICAL,INTENT(IN),OPTIONAL :: maxmem
CHARACTER(LEN=1024):: line
INTEGER :: err,irank
#ifdef CPP_MPI
INCLUDE 'mpif.h'
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,err)
INCLUDE 'mpif.h'
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,err)
#else
irank=0
irank=0
#endif
IF (irank==0) THEN
OPEN(99,FILE="/proc/self/status",ERR=999)
DO
READ(99,"(a)",ERR=999,END=999) line
WRITE(6,*) TRIM(line)
ENDDO
999 CLOSE(99,IOSTAT=err)
ELSE
WRITE(6,"(a,i0,a,a)") "Rank:",irank," used ",memory_usage_string()
END IF
END SUBROUTINE print_memory_info
WRITE(io,"(a,i0,a,a)") "Rank:",irank," used ",TRIM(memory_usage_string(maxmem))
END SUBROUTINE print_memory_info
!Read mstat to find out current memory usage
FUNCTION memory_usage_string(maxmem)
IMPLICIT NONE
LOGICAL,INTENT(IN),OPTIONAL :: maxmem
CHARACTER(len=100):: memory_usage_string
INTEGER:: fid=543
INTEGER*8:: idum
LOGICAL:: firstcall=.TRUE.
LOGICAL:: available=.FALSE.
CHARACTER(len=40)::line
IF (firstcall) THEN
firstcall=.FALSE.
OPEN(fid,FILE="/proc/self/statm",status='old',action='read',iostat=idum)
available=(idum==0)
ENDIF
IF (available) THEN
REWIND(fid)
READ(fid,*) idum
WRITE(memory_usage_string,"(f8.3,a)") (CPP_PAGESIZE/(1024.*1024.*1024.))*idum,"GB"
ELSE
memory_usage_string=""
ENDIF
!Read mstat to find out current memory usage
FUNCTION memory_usage_string()
IMPLICIT NONE
CHARACTER(len=10):: memory_usage_string
INTEGER:: fid=543
INTEGER*8:: idum
LOGICAL:: firstcall=.TRUE.
LOGICAL:: available=.FALSE.
IF (firstcall) THEN
firstcall=.FALSE.
OPEN(fid,FILE="/proc/self/statm",status='old',action='read',iostat=idum)
available=(idum==0)
ENDIF
IF (available) THEN
REWIND(fid)
READ(fid,*) idum
WRITE(memory_usage_string,"(f8.3,a)") (CPP_PAGESIZE/(1024.*1024.*1024.))*idum,"GB"
ELSE
memory_usage_string=""
ENDIF
END FUNCTION memory_usage_string
IF (PRESENT(maxmem)) THEN
IF (maxmem) THEN
!Try to find maximal memory usage
OPEN(544,FILE="/proc/self/status",status='old',action='read',iostat=idum)
IF (idum==0) THEN
DO
READ(544,'(a)',iostat=idum) line
IF (idum.NE.0) EXIT
IF (INDEX(line,"VmPeak:")>0) THEN
memory_usage_string=TRIM(memory_usage_string)//"/"//TRIM(ADJUSTL(line(8:)))
CLOSE(544)
RETURN
ENDIF
ENDDO
CLOSE(544)
END IF
END IF
END IF
END FUNCTION memory_usage_string
SUBROUTINE checkstack()
CHARACTER(LEN=10):: l1,l2,l3,l4
INTEGER :: err
LOGICAL :: unlimited
unlimited=.TRUE. !set to true by default.
!If /proc/self/limits does not exist
!or parsing fails no warning is issued
OPEN(99,FILE="/proc/self/limits",ERR=999)
DO
READ(99,*,ERR=999,END=999) l1,l2,l3,l4
IF (ALL((/INDEX(l1,"Max"),INDEX(l2,"stack"),INDEX(l3,"size")/)==1)) THEN
unlimited=INDEX(l4,"unlim")==1
ENDIF
ENDDO
999 CLOSE(99,IOSTAT=err)
IF (.NOT.unlimited) THEN
WRITE(*,*) "*********** WARNING! ************"
WRITE(*,*) "Your stacksize seems to be small"
WRITE(*,*) "FLEUR might crash without further"
SUBROUTINE checkstack()
CHARACTER(LEN=10):: l1,l2,l3,l4
INTEGER :: err
LOGICAL :: unlimited
#ifdef CPP_MPI
include 'mpif.h'
INTEGER:: ierr,irank
#endif
unlimited=.TRUE. !set to true by default.
!If /proc/self/limits does not exist
!or parsing fails no warning is issued
OPEN(99,FILE="/proc/self/limits",ERR=999)
DO
READ(99,*,ERR=999,END=999) l1,l2,l3,l4
IF (ALL((/INDEX(l1,"Max"),INDEX(l2,"stack"),INDEX(l3,"size")/)==1)) THEN
unlimited=INDEX(l4,"unlim")==1
ENDIF
ENDDO
999 CLOSE(99,IOSTAT=err)
#ifdef CPP_MPI
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,ierr)
IF (irank.NE.0) THEN
IF (.NOT.unlimited) WRITE(*,*)"Warning, stacksize limited at PE:",irank
RETURN
ENDIF
#endif
IF (.NOT.unlimited) THEN
WRITE(*,*) "*********** WARNING! ************"
WRITE(*,*) "Your stacksize seems to be small"
WRITE(*,*) "FLEUR might crash without further"
WRITE(*,*) "notice. Try 'ulimit -s unlimited'"
WRITE(*,*) "*********** WARNING! ************"
ENDIF
......
juDFT/time.F90
View file @ 9e13b3d5
......@@ -26,7 +26,8 @@ MODULE m_juDFT_time
TYPE t_timer
REAL :: starttime
REAL :: time
REAL :: time,mintime,maxtime
INTEGER :: no_calls
CHARACTER(LEN=60) :: name
INTEGER :: n_subtimers
TYPE(t_p),ALLOCATABLE :: subtimer(:)
......@@ -38,9 +39,9 @@ MODULE m_juDFT_time
CHARACTER(LEN=256),SAVE :: lastfile=""
INTEGER ,SAVE :: lastline=0
PUBLIC timestart,timestop,writetimes,writelocation,writeTimesXML
PUBLIC timestart,timestop,writetimes,writeTimesXML
PUBLIC resetIterationDependentTimers,check_time_for_next_iteration
PUBLIC juDFT_time_lastlocation !should not be used
PUBLIC juDFT_time_lastlocation !should be used for error handling only
CONTAINS
......@@ -49,9 +50,6 @@ CONTAINS
SUBROUTINE priv_new_timer(name)
IMPLICIT NONE
CHARACTER(LEN=*),INTENT(IN) ::name
TYPE(t_timer),POINTER ::t
TYPE(t_p),ALLOCATABLE :: tmp(:)
......@@ -59,6 +57,9 @@ CONTAINS
ALLOCATE(t)
t%starttime=cputime()
t%time=0.0
t%mintime=1E99
t%maxtime=0.0
t%no_calls=0
t%name=name
t%n_subtimers=0
t%parenttimer=>null()
......@@ -131,6 +132,8 @@ CONTAINS
SUBROUTINE timestop(ttimer)
CHARACTER(LEN =*),INTENT(IN) :: ttimer
REAL::time
IF (.NOT.TRIM(ttimer)==TRIM(current_timer%name)) THEN
WRITE(*,*)"Current timer:",current_timer%name," could not stop:",ttimer
STOP "BUG:timestop"
......@@ -139,7 +142,11 @@ CONTAINS
WRITE(*,*) "Timer not initialized:"//ttimer
STOP "BUG:timestop"
ENDIF
current_timer%time=current_timer%time+cputime()-current_timer%starttime
time=cputime()-current_timer%starttime !This runtime
current_timer%time=current_timer%time+time
current_timer%no_calls=current_timer%no_calls+1
current_timer%mintime=MIN(current_timer%mintime,time)
current_timer%maxtime=MAX(current_timer%maxtime,time)
current_timer%starttime=-1
CALL priv_debug_output(" stopped ",current_timer%name)
......@@ -168,7 +175,7 @@ CONTAINS
RECURSIVE SUBROUTINE priv_writetimes_longest(timer,fid,timernames,timertimes)
IMPLICIT NONE
TYPE(t_timer),INTENT(IN) :: timer
TYPE(t_timer),INTENT(IN) :: timer
INTEGER,INTENT(IN),OPTIONAL :: fid
CHARACTER(LEN=60),INTENT(INOUT),OPTIONAL ::timernames(10)
REAL,INTENT(INOUT),OPTIONAL ::timertimes(10)
......@@ -236,8 +243,12 @@ CONTAINS
time=timer%time
timername=timer%name
ENDIF
IF (time<min_time*globaltimer%time) RETURN !do not print parts that take less than min_time
WRITE(fid,"(a,T7,a,T46,a)") TRIM(indentstring),TRIM(timername),timestring(time,globaltimer%time,level)
IF (time<min_time*globaltimer%time) RETURN !do not print parts that take less than min_time of the totaltime
IF (timer%no_calls>1) THEN
WRITE(fid,"(a,T7,a,T46,a,T85,a,i0,a,f9.0,a,f9.0,a)") TRIM(indentstring),TRIM(timername),TRIM(timestring(time,globaltimer%time,level)),"(",timer%no_calls,"calls:",timer%mintime,"sec -",timer%maxtime,"sec)"
ELSE
WRITE(fid,"(a,T7,a,T46,a)") TRIM(indentstring),TRIM(timername),timestring(time,globaltimer%time,level)
END IF
FLUSH(fid)
IF (PRESENT(debug).OR.timer%n_subtimers==0) RETURN
......@@ -245,7 +256,7 @@ CONTAINS
DO n=1,timer%n_subtimers
time=time+timer%subtimer(n)%p%time
ENDDO
WRITE(fid,"(a,a,T46,a)") TRIM(indentstring)," measured in submodules:",timestring(time,-.1,level)
WRITE(fid,"(a,a,T46,3a)") TRIM(indentstring)," measured in submodules:",TRIM(timestring(time,-.1,level))
FLUSH(fid)
DO n=1,timer%n_subtimers
CALL priv_writetimes(timer%subtimer(n)%p,level+1,fid)
......@@ -263,7 +274,7 @@ CONTAINS
IF (.NOT.PRESENT(location)) THEN
IF (ASSOCIATED(current_timer)) CALL writelocation(current_timer)
ELSE
WRITE(*,*) "Timer:",location%name
WRITE(0,*) "Timer:",location%name
IF (ASSOCIATED(location%parenttimer)) CALL writelocation(location%parenttimer)
ENDIF
END SUBROUTINE writelocation
......@@ -292,11 +303,7 @@ CONTAINS
fn=2
OPEN(2,FILE ='juDFT_times',STATUS="replace")
ENDIF
!Stop globaltimer if still running
IF (globaltimer%starttime>-1) THEN
globaltimer%time=cputime()-globaltimer%starttime
globaltimer%starttime=-1
ENDIF
globaltimer%time=cputime()-globaltimer%starttime
WRITE(fn,"('Total execution time: ',i0,'sec')") INT(globaltimer%time)
CALL add_usage_data("Runtime",globaltimer%time)
CALL priv_writetimes_longest(globaltimer,fid=fn)
......@@ -515,22 +522,17 @@ CONTAINS
! .. Local Scalars ..
REAL :: rest,seconds
INTEGER :: ihours,iminutes
CHARACTER(LEN=90)::formatstring
rest = time
rest = time
ihours = INT(rest/3600.0)
rest = rest - REAL(ihours)*3600
iminutes = INT(rest/60.0)
seconds = rest - REAL(iminutes)*60
IF (ttime<0) THEN
formatstring="(f9.2,'sec = ',i3,'h ',i2,'min ',i2,'sec')"
WRITE (timestring,FMT = formatstring) time,ihours,iminutes,INT(seconds)
WRITE (timestring,"(f9.2,'sec= ',i3,'h ',i2,'min ',i2,'sec')") time,ihours,iminutes,INT(seconds)
ELSE
WRITE(formatstring,"(a,i0,a)") "(f9.2,'sec= ',i3,'h ',i2,'min ',i2,'sec ->',",(2*level-1),"x,f5.1,'%')"
WRITE (timestring,FMT = formatstring) time,ihours,iminutes,INT(seconds),time/ttime*100.0
WRITE (timestring,"(f9.2,'sec= ',i3,'h ',i2,'min ',i2,'sec ->',1x,f5.1,'%')") time,ihours,iminutes,INT(seconds),time/ttime*100.0
ENDIF
END FUNCTION timestring
!>
......@@ -560,13 +562,19 @@ CONTAINS
#endif
END FUNCTION cputime
!>
SUBROUTINE juDFT_time_lastlocation(PE)
CHARACTER(LEN=4),INTENT(IN):: PE
IF (lastline>0) THEN
WRITE(0,*) PE,"Last kown location:"
WRITE(0,*) PE,"File:",TRIM(lastfile),":",lastline
WRITE(0,*) PE,"*****************************************"
ENDIF
SUBROUTINE juDFT_time_lastlocation()
IF (ASSOCIATED(current_timer)) THEN
WRITE(0,*) "Last kown location:"
WRITE(0,*) "Last timer:",current_timer%name
IF (lastline>0) THEN
WRITE(0,*) "File:",TRIM(lastfile),":",lastline
ENDIF
IF (ASSOCIATED(current_timer%parenttimer)) THEN
WRITE(0,*) "Timerstack:"
CALL writelocation(current_timer%parenttimer)
ENDIF
WRITE(0,*) "*****************************************"
END IF
END SUBROUTINE juDFT_time_lastlocation
END MODULE m_juDFT_time
main/fleur_job.F90
View file @ 9e13b3d5
......@@ -136,6 +136,7 @@ CONTAINS
INCLUDE 'mpif.h'
INTEGER ierr(3)
CALL MPI_INIT_THREAD(MPI_THREAD_SERIALIZED,i,ierr)
CALL judft_init()
CALL MPI_COMM_RANK(MPI_COMM_WORLD,irank,ierr)
IF(irank.EQ.0) THEN
!$ IF (i<MPI_THREAD_SERIALIZED) THEN
......@@ -249,7 +250,6 @@ PROGRAM fleurjob
USE m_juDFT
IMPLICIT NONE
TYPE(t_job),ALLOCATABLE::jobs(:)
CALL judft_init()
CALL fleur_job_init()
CALL fleur_job_arguments(jobs)
CALL fleur_job_distribute(jobs)
......
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