Please, remark that the trunk version is a development version and it should be treated as such. :)
2016-06-28 10:33 GMT+02:00 Anju Saroha <anju....@gmail.com>: > Dear Nick, > > I have understood it. Now only I have checked. Thanks a lot. > > > > On Tue, Jun 28, 2016 at 1:59 PM, Nick Papior <nickpap...@gmail.com> wrote: > >> Please follow this site for the trunk version >> https://launchpad.net/siesta >> Currently, 526 is the latest version. >> >> 2016-06-28 10:24 GMT+02:00 Anju Saroha <anju....@gmail.com>: >> >>> Dear Nick, >>> >>> In my knowledge, siesta-trunk-515 is the latest version. Is there any >>> version latest than this? >>> >>> Thanks and regards >>> >>> On Tue, Jun 28, 2016 at 12:26 PM, Nick Papior <nickpap...@gmail.com> >>> wrote: >>> >>>> Could you please try the latest trunk version, there have been certain >>>> fixes for the LDA+U implementation. >>>> >>>> If siesta still exhibits an error, please follow the steps explained >>>> here: >>>> https://answers.launchpad.net/siesta/+faq/2779 >>>> >>>> >>>> 2016-06-27 21:18 GMT+02:00 Anju Saroha <anju....@gmail.com>: >>>> >>>>> Dear siesta users, >>>>> >>>>> I have installed siesta-trunk-515 using intel-check make file in >>>>> Src/Sys. >>>>> *It is running without any error when I am not using U (Hubbard >>>>> parameter) but the moment I am giving the U parameter, it's aborting with >>>>> an error shown below. * >>>>> Can someone please help me in resolving the issue? I have tried all >>>>> possible ways I knew but I am not having any further clue. >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> *POLgen: Perturbative polarization orbital with L= 1POLgen: >>>>> Polarization orbital for state 4s izeta = 1 rc = >>>>> 4.912997 energy = 0.139983 kinetic = >>>>> 0.923750 potential(screened) = -0.783767 potential(ionic) = >>>>> -6.360530atom: Total number of Sankey-type orbitals: 15atm_pop: Valence >>>>> configuration (for local Pseudopot. screening): 4s( >>>>> 2.00) 4p( >>>>> 0.00) 3d( >>>>> 6.00) Vna: >>>>> chval, zval: 8.00000 8.00000Vna: Cut-off radius for the neutral-atom >>>>> potential: 4.912997atom: >>>>> _________________________________________________________________________ldau_proj_gen: >>>>> PAO cut-off radius determined from anldau_proj_gen: energy shift = >>>>> 0.050000 Ryldau_proj_gen: rco = 3.060618 Bohrforrtl: error (65): floating >>>>> invalidImage PC Routine >>>>> Line Source siesta >>>>> 00000000006C2897 Unknown Unknown >>>>> Unknownsiesta 00000000004CC843 Unknown >>>>> Unknown Unknownsiesta 00000000005B4514 >>>>> Unknown Unknown Unknownsiesta >>>>> 0000000000DEFF27 Unknown Unknown >>>>> Unknownsiesta 000000000040411C Unknown >>>>> Unknown Unknownlibc.so.6 00007F0CDA0B7C36 >>>>> Unknown Unknown Unknownsiesta >>>>> 0000000000404019 Unknown Unknown Unknown* >>>>> >>>>> >>>>> Here I am *attaching the arch.make file*. >>>>> >>>>> I am looking forward for a help. Thanks in advance. >>>>> >>>>> Regards >>>>> >>>>> -- >>>>> Anju Saroha >>>>> Research Scholar >>>>> Department of Physics >>>>> IIT Madras >>>>> Chennai-600036 >>>>> India. >>>>> >>>>> >>>>> >>>> >>>> >>>> -- >>>> Kind regards Nick >>>> >>> >>> >>> >>> -- >>> Anju Saroha >>> Research Scholar >>> Prof. M. S. Ramachandra Rao and >>> Dr. B. Ranjit Kumar Nanda's group >>> Department of Physics >>> IIT Madras >>> Chennai-600036 >>> >>> >>> >> >> >> -- >> Kind regards Nick >> > > > > -- > Anju Saroha > Research Scholar > Prof. M. S. Ramachandra Rao and > Dr. B. Ranjit Kumar Nanda's group > Department of Physics > IIT Madras > Chennai-600036 > > > -- Kind regards Nick
