[Smeagol-discuss] help me to solve the problem with installation of Smeagol

caqhero caqhero at 126.com
Thu Aug 13 11:01:54 IST 2009 


Hi, 
I am a new Smeagol user. I have not installed the package successfully in the past few days, which was terribly trouble me. Can anyone help me? Now, the problem is :
When I make the arch.make file, errors occur. The context of the terminal is as follows:
 
[ms at localhost Src]$ make
Compilation architecture to be used: pg-mpif90
If this is not what you want, create the right
arch.make file using the models in Sys
 
Hit ^C to abort...
 
==> Information about compiler and flags
sed  "s/SIESTA_ARCH/pg-mpif90/g" version.F > temp0.F
sed  "s/FFLAGS/ /g" temp0.F > temp.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2   -DMPI temp.F
 
make[1]: Entering directory `/home/ms/smeagol.1.0b/Src/MPI'
make[2]: Entering directory `/home/ms/smeagol.1.0b/Src/MPI'
make[2]: Leaving directory `/home/ms/smeagol.1.0b/Src/MPI'
 
PARALLEL VERSION:   **** MPI  WARNING ****
We are assuming that the 'kind' numbers for
single and double precision real are 4 and 8, respectively.
This is the case for all compilers we have dealt with so far,
but you should change it if the assumption does not hold for
your compiler!!
 
Hit ^C to abort and change the defaults in MPI/Makefile...
 ===> Generating module files from templates...
/usr/MPICH-install/bin/mpif90 -c  -I/usr/MPICH-install/include mpi__include.f90
/usr/MPICH-install/bin/mpif90 -c  Interfaces.f90
/usr/MPICH-install/bin/mpif90 -c mpi.F
ar: creating libmpi_f90.a
echo libmpi_f90.a
libmpi_f90.a
make[1]: Leaving directory `/home/ms/smeagol.1.0b/Src/MPI'
(cd fdf ; make module)
make[1]: Entering directory `/home/ms/smeagol.1.0b/Src/fdf'
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    fdf.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    parse.f
/usr/MPICH-install/bin/mpif90 -m64 -mtune=opteron -mieee-fp -O2  -c fdf_mod.f
ar qv libfdf.a fdf.o fdf_mod.o parse.o
ar: creating libfdf.a
a - fdf.o
a - fdf_mod.o
a - parse.o
echo libfdf.a
libfdf.a
cp libfdf.a ..
make[1]: Leaving directory `/home/ms/smeagol.1.0b/Src/fdf'
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI precision.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI sys.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    pseudopotential.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    atmparams.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    basis_types.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI ionew.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    spher_harm.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    old_atmfuncs.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    parallel.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    radfft.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    periodic_table.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    atom.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    xml.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    radial.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    atm_types.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    atmfuncs.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    listsc.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI memoryinfo.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    numbvect.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    sorting.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI alloc.F90
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    atomlist.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    parsing.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI phonon.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    chemical.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    basis_specs.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI basis_io.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI writewave.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    arw.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI atomlwf.F
 in file atomlwf.F:358
 
                if (ja .eq. indexloc(indexa)) goto 30                   
                                                                       1
 in file atomlwf.F:373
 
                    
                   2
warning： Obsolete: GOTO at (1) jumps to END of construct at (2)
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI bands.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    bessph.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI cgwf.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    chkdim.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI chkgmx.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI chempot.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    coceri.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    conjgr.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    constr.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    coxmol.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    cross.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI denmat.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI detover.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI meshsubs.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI meshmatrix.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    dfscf.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI dhscf.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diagon.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    digcel.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI fft3d.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diagg.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diagk.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diagkp.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diag2g.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diag2k.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    diagpol.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI diagsprl.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI dipole.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    dismin.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    dnaefs.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    dot.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI dynamics.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI efield.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI egandd.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI ener3.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI extrapol.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI extrapolon.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI fermid.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI fermispin.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI fixed.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    forhar.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI gradient.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI grdsam.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    hsparse.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    idiag.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    initatom.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI initdm.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    inver.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI iodm.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI iohs.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI iolwf.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI iorho.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI ioxv.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ipack.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI kgrid.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI kgridinit.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    kinefsm.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI ksv.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ksvinit.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI madelung.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    matel.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI memory.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    minvec.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI mulliken.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    naefs.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    neighb.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    nlefsm.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI on_subs.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI ordern.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    outcell.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    outcoor.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    overfsm.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    paste.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI pdos.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI pdosg.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI pdosk.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    phirphi.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    pixmol.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI plcharge.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    timestamp.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    propor.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI pulayx.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ranger.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ran3.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    recipes.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    reclat.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI redata.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI redcel.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI reinit.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    reord.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    rhoofd.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    rhoofdsp.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    rhooda.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI savepsi.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    shaper.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI timer.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI vmb.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    vmat.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    vmatsp.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    volcel.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    xc.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    xijorb.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI cellxc.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI cdiag.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI rdiag.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI cgvc.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    iocg.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ioeig.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    iofa.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    iokp.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    iomd.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI repol.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    typecell.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    ofc.f
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI poison.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI readsp.F
/usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2    -DMPI siesta.F
in file siesta.F:736
 
            write(6,'(a47)') 'smeagol: The size of the cell is being exp
                            1
error： starting with unending character constant (1) 
 
in file siesta.F:737
 
            write(6,'(a46)') 'smeagol:  along the perpendicular directio
                            1
error： starting with unending character constant (1) 
make: *** [siesta.o] error 1
[ms at localhost Src]$ make

Could someone help me? please, you are will be so kind. I appreciate any suggestion. 
Best regards!
AQing Chen
 physics and telecommunication engineering,
 south china normal university,
 email:caqhero at 126.com





没有广告的终身免费邮箱,www.yeah.net


没有广告的终身免费邮箱,www.yeah.net
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/attachments/20090813/ac4f4fa5/attachment-0001.html

More information about the Smeagol-discuss mailing list