Dear all,
While trying to complie vasp.4.6 in our 64 bit 2.4 GHZ Oeptron AMD machine with 4GB RAM, I come across the following error/s:
...
.......
mpif77 -c mix
f77: mix: linker input file unused because linking not done
./preprocess <charge.F | /usr/bin/cpp -P -C -traditional >charge -DMPI -DHOST=\"Linux\" -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DMPI_BLOCK=2000 -DRPROMU_DGEMV -DRACCMU_DGEMV
mpif77 -c charge
f77: charge: linker input file unused because linking not done
make: Circular xcgrad <- xcgrad.o dependency dropped.
mpif77 -c xcgrad
f77: xcgrad: No such file or directory
f77: no input files
make: *** [xcgrad] Error 1
--------------
Here is the makefile I worked with:
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------
#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------
FC=mpif77
FCL=$(FC)
#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------
CPP = $(CPP_) -DMPI -DHOST=\"Linux\" \
-Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=2000 \
-DRPROMU_DGEMV -DRACCMU_DGEMV
# -Duse_cray_ptr
## -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------
BLACS=/users/phy/ra/asen/vasp/BLACS/
SCA_=/users/phy/ra/asen/vasp/scalapack-1.7.0
SCA= $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(SCA) $(BLAS)
# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
# fftw.3.0.1 is much faster on Opteron
FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /users/phy/ra/asen/fftw-3.0.1/lib/libfftw3.a
#-----------------------------------------------------------------------
# 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
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
--------------------------------------------------------------------------------------------
Can you please help me out in resolving it?
With regards,
Arijit
make: *** [xcgrad] Error 1 (parallel version)
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 11
- Joined: Sat Dec 03, 2005 5:48 am
make: *** [xcgrad] Error 1 (parallel version)
Last edited by arijit on Tue Aug 29, 2006 3:58 am, edited 1 time in total.
-
- Newbie
- Posts: 11
- Joined: Sat Dec 03, 2005 5:48 am
make: *** [xcgrad] Error 1 (parallel version)
Dear all,
This is in continuation to the above mail. Even while trying to compile vasp.4.lib with mpi77, I got the following error/s:
-----------------
make: *** Warning: File `makefile' has modification time in the future (2006-08-29 11:39:29 > 2006-08-29 11:38:49.48426)
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C preclib.F >preclib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c preclib.f
cc -O -c timing_.c
cc -O -c derrf_.c
cc -O -c dclock_.c
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C diolib.F >diolib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c diolib.f
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C dlexlib.F >dlexlib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c dlexlib.f
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C drdatab.F >drdatab.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c drdatab.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c lapack_double.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c linpack_double.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c lapack_atlas.f
rm libdmy.a
rm: cannot lstat `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: preclib.o: No such file or directory
make: *** [libdmy.a] Error 1
-----------------
Could you please suggest me what should be done here as well?
With regards,
Arijit
This is in continuation to the above mail. Even while trying to compile vasp.4.lib with mpi77, I got the following error/s:
-----------------
make: *** Warning: File `makefile' has modification time in the future (2006-08-29 11:39:29 > 2006-08-29 11:38:49.48426)
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C preclib.F >preclib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c preclib.f
cc -O -c timing_.c
cc -O -c derrf_.c
cc -O -c dclock_.c
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C diolib.F >diolib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c diolib.f
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C dlexlib.F >dlexlib.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c dlexlib.f
/opt/mpichdefault-1.2.6/bin/mpicc -E -P -C drdatab.F >drdatab.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c drdatab.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c lapack_double.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c linpack_double.f
/opt/mpichdefault-1.2.6/bin/mpif77 -O0 -c lapack_atlas.f
rm libdmy.a
rm: cannot lstat `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: preclib.o: No such file or directory
make: *** [libdmy.a] Error 1
-----------------
Could you please suggest me what should be done here as well?
With regards,
Arijit
Last edited by arijit on Tue Aug 29, 2006 5:55 am, edited 1 time in total.
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
make: *** [xcgrad] Error 1 (parallel version)
please make sure that
--) the vasp.4.6.tar.gz and the vasp.4.lib.tar.gz files were untarred correctly
--) you use one of the makefiles of the code version you downloaded.
--) the vasp.4.6.tar.gz and the vasp.4.lib.tar.gz files were untarred correctly
--) you use one of the makefiles of the code version you downloaded.
Last edited by admin on Wed Sep 06, 2006 8:08 am, edited 1 time in total.