Hello sir,<br>              When i try to compile with popt, I got these error.<br><br>mkl_sequential.a /sfs1/intel_122009/Compiler/11.1/059/mkl/lib/em64t/libmkl_core.a -Wl,--end-group -lpthread -lguide<br>
/sfs3/home/amit/compilledpackages/CP2K/cp2k/makefiles/../lib/Linux-x86-64-intel-jnc/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0xadf): In function `fftacml3d_':<br>
: undefined reference to `zfft3dx_'<br>
/sfs3/home/amit/compilledpackages/CP2K/cp2k/makefiles/../lib/Linux-x86-64-intel-jnc/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0xb47): In function `fftacml3d_':<br>
: undefined reference to `zfft3dx_'<br>
/sfs3/home/amit/compilledpackages/CP2K/cp2k/makefiles/../lib/Linux-x86-64-intel-jnc/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0xdb0): In function `fftacml1dm_':<br>
: undefined reference to `zfft1mx_'<br>
/sfs3/home/amit/compilledpackages/CP2K/cp2k/makefiles/../lib/Linux-x86-64-intel-jnc/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0xe2b): In function `fftacml1dm_':<br>
: undefined reference to `zfft1mx_'<br><br>   I don't know what this error means. Could you help me ?<br><br> Regards,<br>Sandeep kumar reddy <br><br><div class="gmail_quote">On Wed, Jan 6, 2010 at 1:56 PM, Teodoro Laino <span dir="ltr"><<a href="mailto:teodor...@gmail.com">teodor...@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hello,<br>
<br>
If I would be you I would first try to check if a popt works! If it is working (with same compiler/libraries setup) then I would go for trying the psmp.<br>
<br>
Teo<br>
<br>
Sandeep Kumar Reddy wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hello,<div><div></div><div class="h5"><br>
       Thank you for your quick reply. Following are the details about compilers, arch etc.<br>
<br>
Intel Compiler(ifort) Version : 10.1<br>
<br>
My Arch File : "Linux-x86-64-intel.psmp"<br>
<br>
# by default some intel compilers put temporaries on the stack<br>
# this might lead to segmentation faults is the stack limit is set to low<br>
# stack limits can be increased by sysadmins or e.g with ulimit -s 256000<br>
# furthermore new ifort (10.0?) compilers support the option<br>
# -heap-arrays 64<br>
# add this to the compilation flags is the other options do not work<br>
# The following settings worked for:<br>
# - AMD64 Opteron<br>
# - SUSE Linux Enterprise Server 10.0 (x86_64)<br>
# - Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 10.0<br>
# - AMD acml library version 3.6.0<br>
# - MPICH2-1.0.5p4<br>
# - FFTW 3.1.2<br>
#<br>
CC       = cc<br>
CPP      =<br>
FC       = ifort -openmp -FR -O0<br>
LD       = ifort -openmp -FR -O0<br>
AR       = ar -r<br>
DFLAGS   = -D__INTEL -D__FFTSG -D__FFTW3<br>
CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)<br>
INTEL_INC= -I/sfs1/intel_012008/mkl/10.0.011/include -I/sfs1/intel_012008/mkl/10.0.011/include/fftw<br>
INTEL_LIB= /sfs1/intel_012008/mkl/10.0.011/lib/em64t<br>
FCFLAGS  = $(DFLAGS) $(INTEL_INC) -heap-arrays 64<br>
FCFLAGS2 = $(DFLAGS) $(INTEL_INC) -heap-arrays 64<br>
LDFLAGS  = $(FCFLAGS) -i-static<br>
MKLPATH  = /sfs1/intel_012008/mkl/10.0.011/lib/em64t/<br>
LIBS     = -L$(MKLPATH) -lfftw3xf_intel $(MKLPATH)/libmkl_solver_lp64.a -Wl,--start-group $(MKLPATH)/libmkl_intel_lp64.a $(MKLPATH)/libmkl_intel_thread.a $(M<br>
KLPATH)/libmkl_core.a -Wl,--end-group -openmp -lpthread<br>
<br>
# $(INTEL_LIB)/libmkl_scalapack_lp64.a \<br>
<br>
#           $(INTEL_LIB)/libmkl_core.a \<br>
<br>
#           $(INTEL_LIB)/libfftw3.a<br>
<br>
OBJECTS_ARCHITECTURE = machine_intel.o<br>
<br>
graphcon.o: graphcon.F<br>
      $(FC) -c $(FCFLAGS2) $<<br>
Linux-jnc.psmp (END)<br>
<br>
<br>
Regards,<br>
Sandeep kumar reddy<br>
<br></div></div><div><div></div><div class="h5">
On Wed, Jan 6, 2010 at 12:27 PM, Laino Teodoro <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a> <mailto:<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>>> wrote:<br>

<br>
    Hello Sandeep,<br>
<br>
    your executable is giving almost random numbers:<br>
<br>
<br>
        1 P_Mix/Diag. 0.40E+00    0.3     1.96524988          -17.0390500821 -1.70E+01<br>
        2 P_Mix/Diag. 0.40E+00    0.4     1.17914993          -13.5426292836  3.50E+00<br>
        3 P_Mix/Diag. 0.40E+00    0.4     0.70748996           -9.9067192962  3.64E+00<br>
        4 P_Mix/Diag. 0.40E+00    0.4     0.42449397           -7.1955092465  2.71E+00<br>
        5 P_Mix/Diag. 0.40E+00    0.4     0.25469638           -5.3903907002  1.81E+00<br>
<br>
    while a correct executable should give more reasonable numbers:<br>
<br>
        1 P_Mix/Diag. 0.40E+00    0.7     0.94986401          -17.0390500821 -1.70E+01<br>
        2 P_Mix/Diag. 0.40E+00    0.7     0.55704339          -17.1017974052 -6.27E-02<br>
        3 P_Mix/Diag. 0.40E+00    0.8     0.33374888          -17.1395184934 -3.77E-02<br>
        4 P_Mix/Diag. 0.40E+00    0.8     0.19743634          -17.1616212665 -2.21E-02<br>
        5 P_Mix/Diag. 0.40E+00    0.9     0.11691752          -17.1746976329 -1.31E-02<br>
<br>
    (Please check the 6th column)<br>
<br>
     You need to provide your arch file, compiler, version, libraries<br>
    and first of all look through all the past messages to see if<br>
    somebody experienced the same problem you have (very probably you<br>
    have a bugged compiler version or wrong libraries).<br>
<br>
    Teo<br>
<br>
<br>
    On 6 Jan 2010, at 07:47, Sandeep Kumar Reddy wrote:<br>
<br>
        Hello,<br>
                 Please help a new user of CP2K.  I am trying to learn<br>
        CP2K. When i try to execute H2O.inp  given in tests directory<br>
        of cp2k, the output file terminated after reading the contents<br>
        of the input file. I am using a serial executable. Following<br>
        is the input file.<br>
<br>
        &FORCE_EVAL<br>
         METHOD Quickstep<br>
         &DFT<br>
           &MGRID<br>
             CUTOFF 280<br>
           &END MGRID<br>
           &QS<br>
             EPS_DEFAULT 1.0E-12<br>
           &END QS<br>
           &SCF<br>
             SCF_GUESS ATOMIC<br>
             EPS_SCF 3.0E-7<br>
             MAX_SCF 50<br>
             &DIAGONALIZATION<br>
                ALGORITHM STANDARD<br>
             &END DIAGONALIZATION<br>
           &END SCF<br>
           &XC<br>
             &XC_FUNCTIONAL BLYP<br>
             &END XC_FUNCTIONAL<br>
           &END XC<br>
         &END DFT<br>
         &SUBSYS<br>
           &CELL<br>
             ABC 5.0 5.0 5.0<br>
           &END CELL<br>
           &COORD<br>
           O   0.000000    0.000000   -0.065587<br>
           H   0.000000   -0.757136    0.520545<br>
           H   0.000000    0.757136    0.520545<br>
           &END COORD<br>
           &KIND H<br>
             BASIS_SET DZVP-GTH-BLYP<br>
             POTENTIAL GTH-BLYP-q1<br>
           &END KIND<br>
           &KIND O<br>
             BASIS_SET DZVP-GTH-BLYP<br>
             POTENTIAL GTH-BLYP-q6<br>
           &END KIND<br>
         &END SUBSYS<br>
        &END FORCE_EVAL<br>
        &GLOBAL<br>
         PROJECT H2O<br>
         RUN_TYPE ENERGY_FORCE<br>
         PRINT_LEVEL MEDIUM<br>
        &END GLOBAL<br>
<br>
        The  output file is<br>
        ----------------------------<br>
<br>
         SCF PARAMETERS         Density guess:                                           ATOMIC<br>
                                      --------------------------------------------------------<br>
                               max_scf:                                                     50<br>
                               max_scf_history:                                              0<br>
                               max_diis:                                                     4<br>
                                      --------------------------------------------------------<br>
                               eps_scf:                                               3.00E-07<br>
                               eps_scf_history:                                       0.00E+00<br>
                               eps_diis:                                              1.00E-01<br>
                               eps_eigval:                                            1.00E-05<br>
                                      --------------------------------------------------------<br>
                               level_shift [a.u.]:                                        0.00<br>
                                      --------------------------------------------------------<br>
                               Mixing method:                                  DIRECT_P_MIXING<br>
                                      --------------------------------------------------------<br>
                               No outer SCF<br>
<br>
         PW_GRID: Information for grid number                                                 1<br>
         PW_GRID: Cutoff [a.u.]                                                           140.0<br>
         PW_GRID: spherical cutoff:                                                          NO<br>
         PW_GRID:   Bounds   1            -27      26                       Points:          54<br>
         PW_GRID:   Bounds   2            -27      26                       Points:          54<br>
         PW_GRID:   Bounds   3            -27      26                       Points:          54<br>
         PW_GRID: Volume element (a.u.^3)  0.5357E-02     Volume<br>
        (a.u.^3)       843.5418<br>
         PW_GRID: Grid span                                                           FULLSPACE<br>
<br>
         PW_GRID: Information for grid number                                                 2<br>
         PW_GRID: Cutoff [a.u.]                                                            46.7<br>
         PW_GRID: spherical cutoff:                                                          NO<br>
         PW_GRID:   Bounds   1            -15      14                       Points:          30<br>
         PW_GRID:   Bounds   2            -15      14                       Points:          30<br>
         PW_GRID:   Bounds   3            -15      14                       Points:          30<br>
         PW_GRID: Volume element (a.u.^3)  0.3124E-01     Volume<br>
        (a.u.^3)       843.5418<br>
         PW_GRID: Grid span                                                           FULLSPACE<br>
<br>
         PW_GRID: Information for grid number                                                 3<br>
         PW_GRID: Cutoff [a.u.]                                                            15.6<br>
         PW_GRID: spherical cutoff:                                                          NO<br>
         PW_GRID:   Bounds   1             -9       8                       Points:          18<br>
         PW_GRID:   Bounds   2             -9       8                       Points:          18<br>
         PW_GRID:   Bounds   3             -9       8                       Points:          18<br>
         PW_GRID: Volume element (a.u.^3)  0.1446         Volume<br>
        (a.u.^3)       843.5418<br>
         PW_GRID: Grid span                                                           FULLSPACE<br>
<br>
         PW_GRID: Information for grid number                                                 4<br>
         PW_GRID: Cutoff [a.u.]                                                             5.2<br>
         PW_GRID: spherical cutoff:                                                          NO<br>
         PW_GRID:   Bounds   1             -4       4                       Points:           9<br>
         PW_GRID:   Bounds   2             -4       4                       Points:           9<br>
         PW_GRID:   Bounds   3             -4       4                       Points:           9<br>
         PW_GRID: Volume element (a.u.^3)   1.157         Volume<br>
        (a.u.^3)       843.5418<br>
         PW_GRID: Grid span                                                           FULLSPACE<br>
<br>
         RS_GRID: Information for grid number                                                 1<br>
         RS_GRID:   Bounds   1            -27      26                       Points:          54<br>
         RS_GRID:   Bounds   2            -27      26                       Points:          54<br>
         RS_GRID:   Bounds   3            -27      26                       Points:          54<br>
<br>
         RS_GRID: Information for grid number                                                 2<br>
         RS_GRID:   Bounds   1            -15      14                       Points:          30<br>
         RS_GRID:   Bounds   2            -15      14                       Points:          30<br>
         RS_GRID:   Bounds   3            -15      14                       Points:          30<br>
<br>
         RS_GRID: Information for grid number                                                 3<br>
         RS_GRID:   Bounds   1             -9       8                       Points:          18<br>
         RS_GRID:   Bounds   2             -9       8                       Points:          18<br>
         RS_GRID:   Bounds   3             -9       8                       Points:          18<br>
<br>
         RS_GRID: Information for grid number                                                 4<br>
         RS_GRID:   Bounds   1             -4       4                       Points:           9<br>
         RS_GRID:   Bounds   2             -4       4                       Points:           9<br>
         RS_GRID:   Bounds   3             -4       4                       Points:           9<br>
<br>
         2D_CM| distribution_2d cost model info<br>
         2D_CM| molecular_distribution                                                       NO<br>
         2D_CM| account for symmetry                                                        YES<br>
         2D_CM| cost model                                                        BLOCK SURFACE<br>
<br>
         2D_MC| Monte Carlo annealing to optimize the distribution_2d<br>
         2D_MC| Number of moves                                                          400000<br>
         2D_MC| Number of annealing cycles                                                   10<br>
         2D_MC| Number of reduction steps per cycle                                           5<br>
         2D_MC| Reduction factor per step                                          0.8000000000<br>
         2D_MC| Termination tolerance                                              0.0200000000<br>
         2D_MC| Maximum temperature                                                0.5000000000<br>
         2D_MC| Swap probability                                                   0.9000000000<br>
         2D_MC| Number of processor rows                                                      1<br>
         2D_MC| Number of processor cols                                                      1<br>
         2D_MC| Number of elements                                                            3<br>
         2D_MC| What do we minimize                                            SMALLEST MAXIMUM<br>
         2D_MC| Cost of optimal distribution                                                374<br>
         2D_MC| Cost of found distribution                                                  374<br>
         2D_MC| Difference in percent                                                         0<br>
<br>
<br>
         DISTRIBUTION OF THE PARTICLES (ROWS)<br>
<br>
         Process row   Number of particles      Number of matrix rows<br>
<br>
                   0                     3                         -1<br>
<br>
                 Sum                     3                         -1<br>
<br>
<br>
         DISTRIBUTION OF THE PARTICLES (COLUMNS)<br>
<br>
         Process col   Number of particles   Number of matrix columns<br>
<br>
                   0                     3                         -1<br>
<br>
                 Sum                     3                         -1<br>
<br>
         DISTRIBUTION OF THE NEIGHBOR LISTS<br>
<br>
         Total number of particle pairs:                          155<br>
         Total number of matrix elements:                        9763<br>
         Average number of particle pairs:                        155<br>
         Maximum number of particle pairs:                        155<br>
         Average number of matrix element:                       9763<br>
         Maximum number of matrix elements:                      9763<br>
<br>
<br>
         DISTRIBUTION OF THE OVERLAP MATRIX<br>
<br>
         Number  of non-zero blocks:                                6<br>
         Percentage non-zero blocks:                           100.00<br>
         Average number of blocks per CPU:                          6<br>
         Maximum number of blocks per CPU:                          6<br>
         Average number of matrix elements per CPU:               374<br>
         Maximum number of matrix elements per CPU:               374<br>
<br>
         Number of electrons:                                                                 8<br>
         Number of occupied orbitals:                                                         4<br>
         Number of molecular orbitals:                                                        4<br>
<br>
         Number of orbital functions:                                                        23<br>
         Number of independent orbital functions:                                            23<br>
<br>
         Extrapolation method: initial_guess<br>
<br>
         Atomic guess: The first density matrix is obtained in terms<br>
        of atomic orbitals<br>
                      and electronic configurations assigned to each<br>
        atomic kind<br>
<br>
         Guess for atomic kind: O<br>
<br>
         Electronic structure<br>
           Total number of core electrons                                                 2.00<br>
           Total number of valence electrons                                              6.00<br>
           Total number of electrons                                                      8.00<br>
           Multiplicity                                                          not specified<br>
           S   [  2.00] 2.00<br>
           P      4.00<br>
<br>
<br>
         *******************************************************************************<br>
                         Iteration          Convergence                            Energy [au]<br>
         *******************************************************************************<br>
                                 1         1.66618                            -14.807077685535<br>
                                 2         2.18144                            -14.856922221361<br>
                                 3        0.941861E-01                        -15.651433198989<br>
                                 4        0.311542E-02                        -15.652878316096<br>
                                 5        0.129713E-02                        -15.652879617314<br>
                                 6        0.810331E-03                        -15.652879783588<br>
                                 7        0.223809E-04                        -15.652879889876<br>
                                 8        0.143180E-06                        -15.652879889960<br>
<br>
         Energy components [Hartree]           Total Energy ::                 -15.652879889960<br>
                                               Band Energy ::                  -2.992123709411<br>
                                            Kinetic Energy ::                  11.832933160969<br>
                                               Core Energy ::                 -26.139880136201<br>
                                                 XC Energy ::                  -3.155492704318<br>
                                            Coulomb Energy ::                  13.642492950559<br>
                              Total Pseudopotential Energy ::                 -38.007855496846<br>
                              Local Pseudopotential Energy ::                 -39.320898599300<br>
                           Nonlocal Pseudopotential Energy ::                   1.313043102454<br>
                                               Confinement ::                   0.350421996757<br>
<br>
         Orbital energies  State     L     Occupation   Energy[a.u.]                 Energy[eV]<br>
<br>
                              1     0          2.000      -0.861204                 -23.434552<br>
                              2     0          0.000       0.744977                  20.271849<br>
<br>
                              1     1          4.000      -0.317429                  -8.637681<br>
                              2     1          0.000       0.561513                  15.279549<br>
<br>
<br>
         Guess for atomic kind: H<br>
<br>
         Electronic structure<br>
           Total number of core electrons                                                 0.00<br>
           Total number of valence electrons                                              1.00<br>
           Total number of electrons                                                      1.00<br>
           Multiplicity                                                          not specified<br>
           S      1.00<br>
<br>
<br>
         *******************************************************************************<br>
                         Iteration          Convergence                            Energy [au]<br>
         *******************************************************************************<br>
                                 1        0.316896E-02                         -0.422453501026<br>
                                 2        0.328845E-03                         -0.422462494147<br>
                                 3        0.113312E-06                         -0.422462591984<br>
<br>
         Energy components [Hartree]           Total Energy ::                  -0.422462591984<br>
                                               Band Energy ::                  -0.193030813655<br>
                                            Kinetic Energy ::                   0.475635387250<br>
                                               Core Energy ::                  -0.478998252516<br>
                                                 XC Energy ::                  -0.248263936733<br>
                                            Coulomb Energy ::                   0.304799597265<br>
                              Total Pseudopotential Energy ::                  -0.972153085242<br>
                              Local Pseudopotential Energy ::                  -0.972153085242<br>
                           Nonlocal Pseudopotential Energy ::                   0.000000000000<br>
                                               Confinement ::                   0.175194454757<br>
<br>
         Orbital energies  State     L     Occupation   Energy[a.u.]                 Energy[eV]<br>
<br>
                              1     0          1.000      -0.193031                  -5.252636<br>
                              2     0          0.000       0.807984                  21.986353<br>
<br>
         Re-scaling the density matrix to get the right number of<br>
        electrons<br>
                         # Electrons              Trace(P)                      Scaling factor<br>
                                   8                 8.002                               1.000<br>
<br>
<br>
         SCF WAVEFUNCTION OPTIMIZATION<br>
<br>
         Step     Update method      Time    Convergence         Total<br>
        energy    Change<br>
         ------------------------------------------------------------------------------<br>
<br>
         Total electronic density (r-space):          -7.9999999948               0.0000000052<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          0.0000000052<br>
         Total charge density (g-space):                                          0.0000000052<br>
            1 P_Mix/Diag. 0.40E+00    0.3     1.96524988              -17.0390500821 -1.70E+01<br>
<br>
         Total electronic density (r-space):          -4.7999999969               3.2000000031<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          3.2000000032<br>
         Total charge density (g-space):                                          3.2000000032<br>
            2 P_Mix/Diag. 0.40E+00    0.4     1.17914993              -13.5426292836  3.50E+00<br>
<br>
         Total electronic density (r-space):          -2.8799999981               5.1200000019<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          5.1200000019<br>
         Total charge density (g-space):                                          5.1200000019<br>
            3 P_Mix/Diag. 0.40E+00    0.4     0.70748996               -9.9067192962  3.64E+00<br>
<br>
         Total electronic density (r-space):          -1.7279999989               6.2720000011<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          6.2720000011<br>
         Total charge density (g-space):                                          6.2720000011<br>
            4 P_Mix/Diag. 0.40E+00    0.4     0.42449397               -7.1955092465  2.71E+00<br>
<br>
         Total electronic density (r-space):          -1.0367999993               6.9632000007<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          6.9632000007<br>
         Total charge density (g-space):                                          6.9632000007<br>
            5 P_Mix/Diag. 0.40E+00    0.4     0.25469638               -5.3903907002  1.81E+00<br>
<br>
         Total electronic density (r-space):          -0.6220799996               7.3779200004<br>
         Total core charge density (r-space):          8.0000000000               0.0000000000<br>
         Total charge density (r-space):                                          7.3779200004<br>
         Total charge density (g-space):                                          7.3779200004<br>
        Aborted<br>
<br>
<br>
        Could anyone help me please ?<br>
<br>
        Thank you,<br>
        Regards,<br>
        Sandeep kumar reddy<br>
        Molecular simulations lab,<br>
        JNCASR<br>
<br>
        --         You received this message because you are subscribed to the<br>
        Google Groups "cp2k" group.<br>
        To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br></div></div>
        <mailto:<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>>.<div class="im"><br>
        To unsubscribe from this group, send email to<br>
        <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a><br></div>
        <mailto:<a href="mailto:unsub...@googlegroups.com" target="_blank">unsub...@googlegroups.com</a>>.<div class="im"><br>
        For more options, visit this group at<br>
        <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
<br>
<br>
<br>
    --<br>
    You received this message because you are subscribed to the Google<br>
    Groups "cp2k" group.<br>
    To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br></div>
    <mailto:<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>>.<div class="im"><br>
    To unsubscribe from this group, send email to<br>
    <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a><br></div>
    <mailto:<a href="mailto:cp2k%252Bu...@googlegroups.com" target="_blank">cp2k%2Bun...@googlegroups.com</a>>.<div class="im"><br>
    For more options, visit this group at<br>
    <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
<br>
<br>
<br>
<br>
<br>
<br>
-- <br>
<br>
Sandeep Kumar Reddy<br>
Molecular Simulations Lab<br>
Chemistry and Physics of Materials Unit JNCASR<br>
Bangalore-560064<br>
Ph: 080 22082809<br>
---------------------------------------------------------<br>
Sometimes our ambitions get flop,<br>
Sometimes our assumtions go wrong,<br>
But our goal is still wating for us,<br>
Let us be positive and be active,<br>
Our life is simply what our thoughts makes it,<br>
Why not we think  good, positive<br>
and big and make our life<br>
a Grand celebration.<br>
Have a wonderful day.<br>
<br>
<br>
<br></div>
------------------------------------------------------------------------<div class="im"><br>
<br>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br>
For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
</div></blockquote>
<br>
<br>--<br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>.<br>
To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com">cp2k+uns...@googlegroups.com</a>.<br>
For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br>
<br>
<br>
<br></blockquote></div><br><br clear="all"><br>-- <br> <br>Sandeep Kumar Reddy <br>Molecular Simulations Lab<br>Chemistry and Physics of Materials Unit JNCASR<br>Bangalore-560064<br>Ph: 080 22082809<br>---------------------------------------------------------<br>
Sometimes our ambitions get flop,<br>Sometimes our assumtions go wrong,<br>But our goal is still wating for us,<br>Let us be positive and be active,<br>Our life is simply what our thoughts makes it,<br>Why not we think  good, positive<br>
and big and make our life <br>a Grand celebration.<br>Have a wonderful day.<br><br><br>