[CPMD-list] still cpmd2cube segmentation fault error occurring
Ari P Seitsonen
ari.p.seitsonen at iki.fi
Wed Dec 14 15:04:52 CET 2005
Dear Haider,
Adding to Juerg's comments: Which FFT are you using during the
compilation (pre-processor flag '-Dxxx')? Is it the same as what you used
for CPMD? What's the output from 'ulimit -a' (or 'limit', if using
'tcsh')? You could also run cpmd2cube.x within a debugger (preferrably
compiled with debugging, like Juerg suggested) like 'gdb' or 'dbx', you
call
# > gdb cpmd2cube.x
# : run -dens DENSITY
and when the code crashes
# : where
and send us the output. This _might_ help (no promises), otherwise we're
just guessing.
Greetings from Lausanne,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
CNRS & IMPMC, Université Pierre et Marie Curie
4 place Jussieu, case 115 / F-75252 Paris
Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820
On Wed, 14 Dec 2005, Juerg Hutter wrote:
> Hi
>
> maybe you could compile the code with the debug flag on,
> so we would get a meaningful traceback.
>
> regards
>
> Juerg Hutter
>
> ----------------------------------------------------------
> Juerg Hutter Phone : ++41 44 635 4491
> Physical Chemistry Institute FAX : ++41 44 635 6838
> University of Zurich E-mail: hutter at pci.unizh.ch
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> ----------------------------------------------------------
>
>
> On Wed, 14 Dec 2005, haider abbas wrote:
>
>> Dear Axel,
>>
>> I have used the command
>>
>> haider at robin:~/cpmd2cube> ulimit -s unlimited
>> haider at robin:~/cpmd2cube> cpmd2cube.x -dens DENSITY
>>
>> .read input file ... done
>> I think you stored a density (sum^2 = 0.12582877E-03)
>> .building g vectors ... done
>> forrtl: severe (174): SIGSEGV, segmentation fault
>> occurred
>> Image PC Routine Line
>> Source
>> cpmd2cube.x 08055F58 Unknown
>> Unknown Unknown
>> cpmd2cube.x 0805404E Unknown
>> Unknown Unknown
>> cpmd2cube.x 0805880F Unknown
>> Unknown Unknown
>> cpmd2cube.x 0806C9D8 Unknown
>> Unknown Unknown
>> cpmd2cube.x 40099768 Unknown
>> Unknown Unknown
>> cpmd2cube.x 08049CE1 Unknown
>> Unknown Unknown
>>
>> but it is still there, i am using intel_fc_80 and
>> White Box Enterprise Linux release 3.0 (Liberation
>> Respin 1)
>> Kernel 2.4.21-15.EL on an i686
>>
>> now please guide me
>> Thanks
>> yours sincerely
>> Haider Abbas
>>
>>
>>
>> --- Axel Kohlmeyer <akohlmey at vitae.cmm.upenn.edu>
>> wrote:
>>
>>>
>>> hi,
>>>
>>> this is most likely not a problem of the code.
>>> please try raising the stacksize using the ulimit
>>> command.
>>> the newer intel compilers allocate automatic arrays
>>> from
>>> the stack.
>>>
>>> axel.
>>>
>>>
>> =======================================================================
>>> Axel Kohlmeyer e-mail: akohlmey at cmm.upenn.edu,
>>> tel: ++1-215-898-1582
>>> Center for Molecular Modeling --
>>> University of Pennsylvania
>>> Department of Chemistry, 231 S.34th Street,
>>> Philadelphia, PA 19104-6323
>>>
>> =======================================================================
>>> If you make something idiot-proof, the universe
>>> creates a better idiot.
>>>
>>> On Mon, 12 Dec 2005, haider abbas wrote:
>>>
>>>> Dear all cpmd user,
>>>>
>>>> running cpmd2cube shows the following error
>>>>
>>>> [haider at falcon1 cpmd2cube]$ cpmd2cube.x -rho
>>>> -halfmesh ELPOT
>>>>
>>>> .read input file ... done
>>>> I think you stored a density (sum^2 =
>>> 0.77965627E-03)
>>>> .building g vectors ... done
>>>> forrtl: severe (174): SIGSEGV, segmentation fault
>>>> occurred
>>>> Image PC Routine
>>> Line
>>>> Source
>>>> cpmd2cube.x 08055F58 Unknown
>>>> Unknown Unknown
>>>> cpmd2cube.x 0805404E Unknown
>>>> Unknown Unknown
>>>> cpmd2cube.x 0805880F Unknown
>>>> Unknown Unknown
>>>> cpmd2cube.x 0806C9D8 Unknown
>>>> Unknown Unknown
>>>> cpmd2cube.x 00763E33 Unknown
>>>> Unknown Unknown
>>>> cpmd2cube.x 08049CE1 Unknown
>>>> Unknown Unknown
>>>>
>>>>
>>>> the makefile of cpmd2cube.x is
>>>>
>>>>
>>>
>> #-----------------------------------------------------------------------------#
>>>> # Makefile for cpmd2cube.x
>>>> # Configuration: Linux-PC-IFC-P4
>>>> # Creation of Makefile: Nov 23 2005
>>>> # on Linux robin 2.4.21-15.EL #1 Sun May 16
>>> 02:45:06
>>>> EDT 2004 i686 athlon i386 GNU/Linux
>>>> # Author: haider
>>>>
>>>
>> #----------------------------------------------------------------------------
>>>> #
>>>> SHELL = /bin/sh
>>>> #
>>>> #--------------- Configuration
>>>> FC = ifc
>>>> FFLAGS = -FR -D__IFC -DFFT_DEFAULT -O -tpp7 -w90
>>> -w95
>>>> -pc64
>>>> LFLAGS = -O -tpp7 -w90 -w95 -pc64
>>>> LIBS = -Vaxlib
>>>> # uncomment and set only if needed
>>>> #CC = cc
>>>> #CFLAGS =
>>>> #--------------- End of Configuration
>>>> ##############
>>>>
>>>> EXE = cpmd2cube.x
>>>>
>>>> OBJECTS = \
>>>> kinds.o periodic_table.o util.o grids.o
>>>> cpmd2cube.o \
>>>> main.o grid_types.o atom_types.o readwrites.o
>>>> \
>>>> fftsg_lib.o fft_tools.o fftsg.o
>>>>
>>>> CFGDEST = .
>>>> CFGMACH = Linux-PC-IFC-P4
>>>> SRC=.
>>>>
>>>> #############################
>>>>
>>>> all: $(EXE) trimcube
>>>>
>>>> $(EXE): $(OBJECTS)
>>>> $(FC) -o $(EXE) $(LFLAGS) $(OBJECTS) $(LIBS)
>>>>
>>>> trimcube: trimcube.o
>>>> $(CC) $(CFLAGS) -o $@ trimcube.o
>>>> #############################
>>>> clean:
>>>> rm -f *.o *.mod *.L *~
>>>>
>>>> # Create a new makefile with new dependencies but
>>>> retain the configuration.
>>>> reconfig:
>>>> ( cd $(SRC) ; ./Configure -r -m -SRC=$(SRC)
>>>> -DEST=$(CFGDEST) $(CFGMACH) ; cd $(CFGDEST) )
>>>>
>>>> #############################
>>>> atom_types.o: $(SRC)/atom_types.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> cpmd2cube.o: $(SRC)/cpmd2cube.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> fft_tools.o: $(SRC)/fft_tools.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> grid_types.o: $(SRC)/grid_types.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> grids.o: $(SRC)/grids.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> main.o: $(SRC)/main.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> periodic_table.o: $(SRC)/periodic_table.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> readwrites.o: $(SRC)/readwrites.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> util.o: $(SRC)/util.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> kinds.o: $(SRC)/kinds.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> fftsg.o: $(SRC)/fftsg.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> fftsg_lib.o: $(SRC)/fftsg_lib.F
>>>> $(FC) -c $(FFLAGS) $(SRC)/$*.F
>>>>
>>>> trimcube.o: $(SRC)/trimcube.c
>>>> $(CC) -c $(CFLAGS) $(SRC)/$*.c
>>>>
>>>> # Dependencies
>>>> atom_types.o: kinds.o \
>>>> periodic_table.o
>>>>
>>>> cpmd2cube.o: atom_types.o \
>>>> fft_tools.o \
>>>> grid_types.o \
>>>> grids.o \
>>>> kinds.o \
>>>> periodic_table.o \
>>>> readwrites.o \
>>>> util.o
>>>>
>>>> fft_tools.o: grid_types.o \
>>>> fftsg_lib.o \
>>>> kinds.o
>>>>
>>>> grid_types.o: kinds.o
>>>>
>>>> grids.o: grid_types.o \
>>>> kinds.o \
>>>> util.o
>>>>
>>>> main.o: cpmd2cube.o
>>>>
>>>> periodic_table.o: kinds.o
>>>>
>>>> readwrites.o: atom_types.o \
>>>> grid_types.o \
>>>> kinds.o
>>>>
>>>> util.o: kinds.o
>>>>
>>>> i have also tried it on a 1GB ram pc but its
>>> showing
>>>> the same error
>>>> could you please tell me what is wrong
>>>> thanks
>>>> yours sincerely
>>>> Haider Abbas
>>>>
>>>>
>>>>
>>>>
>>>>
>>>
>> __________________________________________________________
>>>
>> === message truncated ===
>>
>>
>>
>>
>> __________________________________________________________
>> Yahoo! India Matrimony: Find your partner now. Go to
>> http://yahoo.shaadi.com
>> _______________________________________________
>> CPMD-list mailing list
>> CPMD-list at cpmd.org
>> http://cpmd.org/mailman/listinfo/cpmd-list
>>
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://cpmd.org/mailman/listinfo/cpmd-list
>
More information about the CPMD-list
mailing list