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
