Hi, I have installed the parallel version using intel 2016 and intelmpi libraries. When I am giving a test run for ZnO, it is giving an error. *Both error file and arch.make are attached herewith*. Please find the files. I don't understand why this error has come.
Has anyone faced the same error before? Please help me in resolving the issue. Looking forward for an help. Thanks and regards Anju Saroha On Tue, Jun 28, 2016 at 3:34 PM, Nick Papior <[email protected]> wrote: > 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 > -- Anju Saroha Research Scholar Prof. M. S. Ramachandra Rao and Dr. B. Ranjit Kumar Nanda's group Department of Physics IIT Madras Chennai-600036
test.err
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arch.make
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