[CPMD-list] still cpmd2cube segmentation fault error occurring
Juerg Hutter
hutter at pci.unizh.ch
Wed Dec 14 12:35:45 CET 2005
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 ===
>
>
>
>
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