Please follow these instructions so that we may be able to help you: https://answers.launchpad.net/siesta/+faq/2779
2016-06-28 11:45 GMT+02:00 Anju Saroha <[email protected]>: > 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 <[email protected]> wrote: > >> Thanks a lot Nick. >> >> >> On Tue, Jun 28, 2016 at 2:28 PM, Nick Papior <[email protected]> >> wrote: >> >>> No, currently LDA+U is only in the trunk series. >>> >>> 2016-06-28 10:49 GMT+02:00 Anju Saroha <[email protected]>: >>> >>>> 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 <[email protected]> >>>> 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 <[email protected]>: >>>>> >>>>>> 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 <[email protected]> >>>>>> 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 <[email protected]>: >>>>>>> >>>>>>>> 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 <[email protected] >>>>>>>> > 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 <[email protected]>: >>>>>>>>> >>>>>>>>>> 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 > > > -- Kind regards Nick
