[DFTB-Plus-User] dftb-plus autotest failed

Duo SONG fzdsong at gmail.com
Sun Dec 27 08:12:40 CET 2009

Dear all dftb-plus users,

Happy Holidays! I have some problems when running my dftb-plus. After I
issued "make test" in prg_dftb, none of those programs ran.

Not run:
    non-scc/Si_2                        spin/H2O
    non-scc/GaAs_2                      spin/H2O-periodic
    non-scc/HBDI-neutral                spin/GaAs_2
    non-scc/HBDI-cationic               spin/H2
    non-scc/decapentaene                geoopt/H2O
    non-scc/10-0Ctube                   geoopt/H2O-constr
    non-scc/10-10Ctube                  geoopt/H2O-nonscc
    non-scc/Si41C23N35                  geoopt/Vsi+O-nonscc
    non-scc/Si_384                      geoopt/Vsi+O
    non-scc/Si_216                      md/Si_8
    scc/GaAs_2                          md/H3
    scc/SiC_64                          md/Si_8-thermostat
    scc/C60                             md/Si_8-thermostat2
    scc/H3                              md/Si_8-tempprofile
    scc/H2O-extchrg                     dispersion/2H2O
    scc/H2O-extchrg-periodic            dispersion/DNA
Status: FAIL
Details in:
make[1]: *** [test] Error 1
make[1]: Leaving directory
make: *** [_obj_i686-linux-ifort] Error 2

I do not know why. I have mio-0-1, pbc-0-1 and hyb-0-2 extracted in the
slako. Besides, I still wonder why no binary was copied in prg_dftb (the
manual says it is a default directory) as an error report always appears as
"cp: `dftb+' and `./dftb+' are the same file." after I issued "make
install". And I issued "dftb+", it reported "command not found".

Thank you very much for helping me sol

Undergraduate Student

Department of Materials Science and Engineering
University of Science and Technology of China
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