[CPMD-list] still cpmd2cube segmentation fault error occurring
haider abbas
haiderabbasphy at yahoo.co.in
Wed Dec 14 10:54:31 CET 2005
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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