Since the DIRAC program system is still evolving, it gets spoiled with bugs during its perpetual development. We would like to share knowledge on how to localize crashes/bugs in the code.
We believe that this short tutorial is useful not only for DIRAC developers, but also for ordinary users, who likewise could send us precise localization and specification of the bug.
We assume a serial compiled DIRAC program suite.
Make sure that DIRAC is compiled with “-g” flag for both Fortran and C compilers. This flag is the be the default part of compiler flags.
When you would like to run multiple debugging runs, please choose safe flags for the compilation (it means omitting optimization flags, see the “Makefile.config” file) in order to speed up repeating DIRAC compilation and improve ease of debugging. Note that some bugs (crashes) might “disappear” when the optimization is turned off, because not all compilers have bug-free optimization procedure.
Ensure that proper debugger is placed into the “pam” script (and is likewise installed). For the GNU set (gfortran,gcc) this is GNU/gdb. Some commercial compilers are providing their own debuggers: ifort,icc - idbg, for pgf90/pgcc - pgdbg etc.
Running DIRAC with “pam –debug ...” is suitable for one-shoot debugging. Pam script calls the debugger, which afterwards shows up its command line.
Then the user can set up breakpoints, stops for the code and run ‘dirac.x’ inside the debugger.
There is (in the development version of DIRAC) the possibility to print out the stack content.
Any ‘QUIT’ crash of the code causes a SegFault termination you can investigate with the debugger - you can ‘visit’ individual procedures within the stack sequence and examine their variables.
For example, beeing the “gdb” debugger session:
> run
(Dirac runs and crashes somewhere)
> backtrace
(show the stack)
> up {n}
(go to the n-the previous function in the call stack; see help up)
> print <VARIABLE>
(whatever you want to inspect).
Oposite way can be achiewed using ‘down’ command.
We give a simple demo-session of an thorough and effective debugging. Recent version of the widely used the GNU/gdb debugger is recommended.
Make a working directory with enough disk space. Provide a link of the $DIRAC/dirac.x executable file there. This is because you will repeat modifications of DIRAC source files and subsequent compilation, so it is easier to have linked executable rather than copying it.
Make sure that the ‘DIRAC.INP’, ‘MOLECULE.INP’, gdb_demo and of other necessary files (e.g. ‘DFCOEF’ if you are restarting SCF iterations) are in the working directory as well.
This gdb_demo file (create© from this web-page) contains some commands (and macros) of the gdb debugger:
### load the executable file with all symbols
file dirac.x
### This settings is necessary for complex breakpoint conditions in fortran...
#set language fortran
set language c
set language auto
### Write where I am...
echo In directory:
shell echo pwd
echo \n Files in dir:
shell ls -a
##################################################################
### Delete DIRAC files in the scratch directory
### - needed for restarting and for further catching of bugs..
##################################################################
shell /bin/rm -r DF* AOPROPER BSSMAT
echo \n After deletion remaining files in dir:
shell ls -a
### clean the desk: delete all previous breakpoints
d b
###################################
# Example of macros
###################################
define my_macro
printf "in GMOTRA begin NZ=%d N2BBASXQ=%d SPINFR=%d\n",nz,n2bbasxq,spinfr
end
define my_macro1
printf "in GMOTRA begin SPINFR2=%d\n",spinfr2
end
### demo of a conditional breakpoint
b gmotra_ if (nz==1 | (n2bbasxq==0 && spinfr==0))
command
my_macro
my_macro1
echo type continue or sipmly c...\n
# c
end
### example of the unconditional breakpoint
b dirone.F:1399
command
if ( (nfsym.eq.1 && n2bbasxq.gt.10) | nz.eq.1 | spinfr.eq.0)
printf "NFSYM=%d\n", NFSYM
if (nfsym.eq.2)
printf "NTMO(1)=%d NTMO(2)=%d\n",NTMO(1),NTMO(2)
else
printf "One symmetry...NTMO(1)=%d \n",NTMO(1)
end
else
printf "... else branch...."
end
##### while cycle demo #####
printf" Few values of the WORK(KTMAT) array, KTMAT=%d... \n",KTMAT
set $indx=0
while ($indx.lt.5)
printf "WORK(%d)=%lf\n",ktmat+$indx,(*WORK)(ktmat+$indx)
# p ktmat+$indx
set $indx=$indx+1
end
end
Being the working directory type ‘gdb dirac.x’ to run the ‘dirac.x’ in the debugging mode. When the gdb command line appears, insert ‘source gdb_demo’ to load the debugger commands source file.
Each time when you modify and recompile DIRAC please retype again ‘file dirac.x’ in the gdb mode to reload the fresh executable.
If you modify the gdb_demo debugger source file apply again the gdb command ‘source gdb_demo’ to reload it.
More GNU/gdb know-how is given at the web-page http://sources.redhat.com/gdb/current/onlinedocs/gdb.html.
For debugging programs compiled with ifort you need to use the Intel Debugger idb, which is the same set of commands as the GNU/gdb.
For parallel debugging we recommend some commercial software, which can follow individual threads.
...totalview debugger ?