[CPMD-list] cpmd2cube segmentation fault error

[Axel Kohlmeyer]

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
>
>
>
>
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