My Community

I just installed VASP on a SUN cluster...however there's something wrong and it won't work.
I get "received signal SEGV (core dumped)."

Running dbx vasp core gives the following:
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:pseudo.f stab #38 radial_
dbx: warning: Can't parse 'c' CONSTANT stab for `citpi'.
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:wave.f stab #1289 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:nonl.f stab #74 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:nonlr.f stab #76 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:force.f stab #146 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:charge.f stab #100 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:pot.f stab #102 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:relativistic.f stab #520 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:sphpro.f stab #162 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:wavpre.f stab #89 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:wavpre_noio.f stab #93 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:us.f stab #94 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:paw.f stab #87 radial_
dbx: warning: Can't find module symbol for 'radial' : /u/sf006/disk1/ucfbasc/executable/vasp64.k:paw.f stab #2951 radial_
dbx: panic: "Symbol::ck_sclass_help"(): Assertion ((this->*ap)()) failed - "symbol.cc":3685


My makefile is this:
.SUFFIXES: .inc .f .F
#-----------------------------------------------------------------------
#
# Makefile adapted to UltraSPARC III and IV running under Solaris 9
# Fortran Compiler version (f90 -V)
# f90: Sun Fortran 95 7.1 Patch 112762-06 2003/11/18
# Sun MPI 6.0 (part of HPC Cluster Tools V5.0)
# (some patches had to be installed)
# Sun no longer supports a separate f77 compiler
#
# serial version
#
# Atya El-Shekh elshekh@rz.rwth-aachen.de
# Dieter an Mey anmey@rz.rwth-aachen.de
# Center for Computing and Communication, RWTH Aachen University
# Mon Jul 19 13:38:07 MEST 2004
#
# -fast automatically choses optimal switches for the current platform
# -xarch=v8plusb choses the 32-bit mode for the UltraSPARC III and IV platform
# exact settings can be found out with the command fpversion
#
#-------------------------------------------------------------------------
#
# based on the Makefile for SUN Ultra2 and possibly SUN Ultra3
# modified and tested by Helmut Puchner <helmut@lsil.com>
# under Solaris 5.7
#
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f
SUFFIX=.f

#-----------------------------------------------------------------------
# fortran compiler FC and linker FCL
#-----------------------------------------------------------------------
FC= f90
F77=f77
FCL=$(FC)

#-----------------------------------------------------------------------
# C-preprocessor define any of the flags given below
# single_precission single precission BLAS/LAPACK calls
# vector
# essl use ESSL call sequence for DSYGV
# NGXhalf charge density reduced in X direction
# NGZhalf charge density reduced in Z direction
# wNGXhalf gamma point only reduced in X direction
# wNGZhalf gamma point only reduced in Z direction
#-----------------------------------------------------------------------

CPP = ./preprocess <$*.F | /usr/ccs/lib/cpp -P -DHOST=\"Sun\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=0 -DNOZTRMM >$*$(SUFFIX)

#-----------------------------------------------------------------------
# general fortran flags
#-----------------------------------------------------------------------

# Ultra-Sparc 2
#FFLAGS = -free -fast -dalign -xarch=v8plusa
# Ultra-Sparc 3 64 bit
FFLAGS = -g -free -fast -dalign

# FFLAGS_F77 only require when the fft3dlib_f77 is used
FFLAGS_F77 = -r8 -i4 -fast -dalign

#-----------------------------------------------------------------------
# optimisation flags
#-----------------------------------------------------------------------
OFLAG =
OFLAG_HIGH = $(OFLAG)

OBJ_HIGH = none
OBJ_NOOPT = none

DEBUG =
INCS = -I/usr/local/mpich-gm/sparcv9/include/
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
# options for linking
#-----------------------------------------------------------------------
LINK = $(FFLAGS)

LIB = -lsunperf -L../vasp.4.lib ../vasp.4.lib/linpack_double.o -ldmy

# only slight improvement with the shared-memory parallel version of sunperf
# execute after specifying the number of threads with OMP_NUM_THREADS=2 for example
#LIB = -L../vasp.4.lib -mt -parallel -lsunperf -L../vasp.4.lib ../vasp.4.lib/linpack_double.o -ldmy

#-----------------------------------------------------------------------
#
# use the standard f90 FFT transformations of Juergen Furthmueller
#
#-----------------------------------------------------------------------
FFT3D = fft3dfurth.o fft3dlib.o

#-----------------------------------------------------------------------
# MPI version using SUN MPI from the hpc package:
# before compiling a few things must be done manually:
# 1. `IU5=5' to `IU5=35' in main.F
# 1. `IU5=5' to `IU5=35' in main.F
#-----------------------------------------------------------------------
#
FC=mpf90
F77=mpf77
FCL=$(FC)
CPP = ./preprocess <$*.F | /usr/ccs/lib/cpp -C -P -DMPI -Duse_collective -Dkind8 -DNGZhalf >$*.f
MPI = -lmpi
LIB = -L../vasp.4.lib ../vasp.4.lib/linpack_double.o -ldmy -xlic_lib=sunperf $(MPI)
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o


#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o

SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o

INC=

vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp
$(FCL) -o vasp $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)

clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F

main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)

.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)

# special rules
#-----------------------------------------------------------------------

fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
f77 $(FFLAGS_F77) -c $*$(SUFFIX)
dos.o : dos.F
$(CPP)
$(FC) -c -free $*$(SUFFIX)

radial.o : radial.F
$(CPP)
$(FC) -c -free $*$(SUFFIX)

symmetry.o : symmetry.F
$(CPP)
$(FC) -c -free $*$(SUFFIX)


I would appreciate any help....thanks a lot~!!

Hi,

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VASP