possible "radial.f" problem?
Moderators: Global Moderator, Moderator
possible "radial.f" problem?
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~!!
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~!!
Last edited by Tyx on Wed Jul 26, 2006 12:02 pm, edited 1 time in total.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: possible "radial.f" problem?
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP