Dear Nick, Same error is coming with the new version also. What can be a possible way out?
On Tue, Jun 28, 2016 at 2:35 PM, Anju Saroha <anju....@gmail.com> wrote: > Thanks a lot Nick. > > > On Tue, Jun 28, 2016 at 2:28 PM, Nick Papior <nickpap...@gmail.com> wrote: > >> No, currently LDA+U is only in the trunk series. >> >> 2016-06-28 10:49 GMT+02:00 Anju Saroha <anju....@gmail.com>: >> >>> Dear Nick, >>> >>> That's true. Still may I know whether U is there in any series? >>> >>> >>> Thanks >>> >>> On Tue, Jun 28, 2016 at 2:13 PM, Nick Papior <nickpap...@gmail.com> >>> wrote: >>> >>>> 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 >>>> >>> >>> >>> >>> -- >>> 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 > > > -- Anju Saroha Research Scholar Prof. M. S. Ramachandra Rao and Dr. B. Ranjit Kumar Nanda's group Department of Physics IIT Madras Chennai-600036
