The problem of compiling on Opteron with Pathscale
Posted: Wed Nov 29, 2006 5:38 am
Dear sirs:
When I compiled the Vasp.4.6 with Pathscale, I got some error messages as following:
1. SUBROUTINE SET_WPOINTER(CW_P, N1, N2, CPTWFP)
pathf95-1278 pathf90: WARNING SET_WPOINTER, File = wave_mpi.f90, Line = 146, Column = 45
Procedure "SET_WPOINTER" is defined at line 61 (wave_mpi.f90). Dummy argument "CPTWFP" is scalar. This argument is an array argument.
2. CALL IBZKPT(B,BK,SHIFT,NKPT,VKPT,WTKPT,NKDIM, &
pathf95-1295 pathf90: WARNING IBZKPT_FAST, File = symmetry.f90, Line = 1866, Column = 9
"IBZKPT" is defined or referenced at line 852 (symmetry.f90) and here. The number of arguments do not match. Expected 17, but found 17.
& LTET,NTET,IDTET,NTETD,VOLWGT,IKPT,IKPTD,SCALE,IU6)
pathf95-1279 pathf90: WARNING IBZKPT_FAST, File = symmetry.f90, Line = 1867, Column = 67
Procedure "IBZKPT" is defined at line 852 (symmetry.f90). The type of this argument does not agree with dummy argument "LINVERSION".
3. CALL VHAMIL(WDES1,GRID,SV(1,1),W1%CR(1),CWORK1(1))
pathf95-1615 pathf90: WARNING HAMILT, File = hamil.f90, Line = 280, Column = 43
Procedure "VHAMIL" is defined at line 195 (hamil.f90). Dummy argument "CR" is an array argument. This argument is scalar.
4. !DIR$ NOPATTERN
pathf95-801 pathf90: WARNING SETUP_SYM_LL, File = paw.f90, Line = 1071, Column = 7
Unsupported compiler directive.
5. LMDIM,CDIJ,CQIJ, CVTOT_, IRDMAA,IRDMAX, DISX,DISY,DISZ)
pathf95-1279 pathf90: WARNING SETDIJ, File = us.f90, Line = 984, Column = 26
Procedure "SETDIJ" is defined at line 65 (us.f90). The type of this argument does not agree with dummy argument "CVTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1084, Column = 51 Procedure "SETYLM_AUG" is defined at line 711 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(P(NT)%QDEP(1,1,LDEP_INDEX),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1106, Column = 29 Procedure "SETDEP" is defined at line 944 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(P(NT)%QDEP(1,1,L),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1159, Column = 32 Procedure "SETDEP" is defined at line 944 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
LMDIM,CRHODE, CHTOT_,CHDEN, IRDMAX )
pathf95-1279 pathf90: WARNING DEPLE, File = us.f90, Line = 1467, Column = 23 Procedure "DEPLE" is defined at line 95 (us.f90). The type of this argument does not agree with dummy argument "CHTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING DEPLE, File = us.f90, Line = 1609, Column = 51 Procedure "SETYLM_AUG" is defined at line 711 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
6. DO I=1,NDIM
pathf95-362 pathf90: WARNING BROYD, File = broyden.f90, Line = 522, Column = 10
This statement can not be reached.
7. <stdin>:108: warning: extra tokens at end of #endif directive
SUBROUTINE OUTPOT(GRIDC, IU,LLONG,CVTOT)
pathf95-1279 pathf90: WARNING OUTPOT, File = fileio.f90, Line = 1260, Column = 41 Procedure "OUTPOT" is defined at line 56 (fileio.f90). The type of this argument does not agree with dummy argument "CVTOT".
And the following is my makefile:
SUFFIX=.f90
.SUFFIXES: .inc .f .f90 .F
FC=pathf90
FCL=$(FC)
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -Davoidalloc \
-DRPROMU_DGEMV -DRACCMU_DGEMV \
-Duse_cray_ptr
FFLAGS = -freeform -d8
OFLAG=-O2
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -freeform -O0
INLINE = $(OFLAG)
BLAS= /home/hychuang/hychuang-1/software/GotoBLAS/libgoto_opteronp-r1.08_p.a -lpthread
LAPACK= ../vasp.4.lib/lapack_double.o
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
FFT3D = fft3dfurth.o fft3dlib.o
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
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.o : fft3dlib.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -freeform -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -freeform -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -freeform -lowercase -O2 -c $*$(SUFFIX)
I appreciate any suggestion, thanks.
<span class='smallblacktext'>[ Edited ]</span>
When I compiled the Vasp.4.6 with Pathscale, I got some error messages as following:
1. SUBROUTINE SET_WPOINTER(CW_P, N1, N2, CPTWFP)
pathf95-1278 pathf90: WARNING SET_WPOINTER, File = wave_mpi.f90, Line = 146, Column = 45
Procedure "SET_WPOINTER" is defined at line 61 (wave_mpi.f90). Dummy argument "CPTWFP" is scalar. This argument is an array argument.
2. CALL IBZKPT(B,BK,SHIFT,NKPT,VKPT,WTKPT,NKDIM, &
pathf95-1295 pathf90: WARNING IBZKPT_FAST, File = symmetry.f90, Line = 1866, Column = 9
"IBZKPT" is defined or referenced at line 852 (symmetry.f90) and here. The number of arguments do not match. Expected 17, but found 17.
& LTET,NTET,IDTET,NTETD,VOLWGT,IKPT,IKPTD,SCALE,IU6)
pathf95-1279 pathf90: WARNING IBZKPT_FAST, File = symmetry.f90, Line = 1867, Column = 67
Procedure "IBZKPT" is defined at line 852 (symmetry.f90). The type of this argument does not agree with dummy argument "LINVERSION".
3. CALL VHAMIL(WDES1,GRID,SV(1,1),W1%CR(1),CWORK1(1))
pathf95-1615 pathf90: WARNING HAMILT, File = hamil.f90, Line = 280, Column = 43
Procedure "VHAMIL" is defined at line 195 (hamil.f90). Dummy argument "CR" is an array argument. This argument is scalar.
4. !DIR$ NOPATTERN
pathf95-801 pathf90: WARNING SETUP_SYM_LL, File = paw.f90, Line = 1071, Column = 7
Unsupported compiler directive.
5. LMDIM,CDIJ,CQIJ, CVTOT_, IRDMAA,IRDMAX, DISX,DISY,DISZ)
pathf95-1279 pathf90: WARNING SETDIJ, File = us.f90, Line = 984, Column = 26
Procedure "SETDIJ" is defined at line 65 (us.f90). The type of this argument does not agree with dummy argument "CVTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1084, Column = 51 Procedure "SETYLM_AUG" is defined at line 711 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(P(NT)%QDEP(1,1,LDEP_INDEX),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1106, Column = 29 Procedure "SETDEP" is defined at line 944 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(P(NT)%QDEP(1,1,L),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING SETDIJ, File = us.f90, Line = 1159, Column = 32 Procedure "SETDEP" is defined at line 944 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
LMDIM,CRHODE, CHTOT_,CHDEN, IRDMAX )
pathf95-1279 pathf90: WARNING DEPLE, File = us.f90, Line = 1467, Column = 23 Procedure "DEPLE" is defined at line 95 (us.f90). The type of this argument does not agree with dummy argument "CHTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),P(NT)%PSDMAX,NPSRNL, &
pathf95-1615 pathf90: WARNING DEPLE, File = us.f90, Line = 1609, Column = 51 Procedure "SETYLM_AUG" is defined at line 711 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
6. DO I=1,NDIM
pathf95-362 pathf90: WARNING BROYD, File = broyden.f90, Line = 522, Column = 10
This statement can not be reached.
7. <stdin>:108: warning: extra tokens at end of #endif directive
SUBROUTINE OUTPOT(GRIDC, IU,LLONG,CVTOT)
pathf95-1279 pathf90: WARNING OUTPOT, File = fileio.f90, Line = 1260, Column = 41 Procedure "OUTPOT" is defined at line 56 (fileio.f90). The type of this argument does not agree with dummy argument "CVTOT".
And the following is my makefile:
SUFFIX=.f90
.SUFFIXES: .inc .f .f90 .F
FC=pathf90
FCL=$(FC)
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -Davoidalloc \
-DRPROMU_DGEMV -DRACCMU_DGEMV \
-Duse_cray_ptr
FFLAGS = -freeform -d8
OFLAG=-O2
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -freeform -O0
INLINE = $(OFLAG)
BLAS= /home/hychuang/hychuang-1/software/GotoBLAS/libgoto_opteronp-r1.08_p.a -lpthread
LAPACK= ../vasp.4.lib/lapack_double.o
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
FFT3D = fft3dfurth.o fft3dlib.o
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
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.o : fft3dlib.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -freeform -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -freeform -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -freeform -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -freeform -lowercase -O2 -c $*$(SUFFIX)
I appreciate any suggestion, thanks.
<span class='smallblacktext'>[ Edited ]</span>