Yes. There are issues with the intel 2016 compiler. Try to recompile with intel 2015 or gfortran.
Cheers, Zeila --------------------------------------------------------------- Dr. Zeila Zanolli RWTH Aachen, Institute for Theoretical Solid State Physics ETSF Research Team Leader (http://www.etsf.eu/) Mobile: +32 487 556699 Office (RWTH): +49 241 80 27030 Office (ULg): +32 (0)4 366 3636 e-mail: [email protected] web: http://zeilazanolli.wordpress.com/home ResearcherID: http://www.researcherid.com/rid/F-9568-2010 Announcements: 21st ETSF Workshop on Electronic Excitations: Dynamics and spectroscopy of correlated systems 19 - 23 September 2016, Lund, Sweden website: https://workshop.etsf.eu/ NanoteC16 Carbon Nanoscience and Nanotechnology 31 August - 03 September 2016, Trinity College Dublin, Dublin, Ireland website: http://nanotec-conference.net/ ---------------------------------------------------------------- On Thu, Jun 30, 2016 at 11:46 PM, Anju Saroha <[email protected]> wrote: > 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= 1 >>>>>>>>>>>> >>>>>>>>>>>> POLgen: Polarization orbital for state 4s >>>>>>>>>>>> >>>>>>>>>>>> izeta = 1 >>>>>>>>>>>> rc = 4.912997 >>>>>>>>>>>> energy = 0.139983 >>>>>>>>>>>> kinetic = 0.923750 >>>>>>>>>>>> potential(screened) = -0.783767 >>>>>>>>>>>> potential(ionic) = -6.360530 >>>>>>>>>>>> atom: Total number of Sankey-type orbitals: 15 >>>>>>>>>>>> >>>>>>>>>>>> atm_pop: Valence configuration (for local Pseudopot. screening): >>>>>>>>>>>> 4s( 2.00) >>>>>>>>>>>> 4p( 0.00) >>>>>>>>>>>> 3d( 6.00) >>>>>>>>>>>> Vna: chval, zval: 8.00000 8.00000 >>>>>>>>>>>> >>>>>>>>>>>> Vna: Cut-off radius for the neutral-atom potential: 4.912997 >>>>>>>>>>>> >>>>>>>>>>>> atom: >>>>>>>>>>>> _________________________________________________________________________ >>>>>>>>>>>> >>>>>>>>>>>> ldau_proj_gen: PAO cut-off radius determined from an >>>>>>>>>>>> ldau_proj_gen: energy shift = 0.050000 Ry >>>>>>>>>>>> ldau_proj_gen: rco = 3.060618 Bohr >>>>>>>>>>>> forrtl: error (65): floating invalid >>>>>>>>>>>> Image PC Routine >>>>>>>>>>>> Line Source >>>>>>>>>>>> siesta 00000000006C2897 Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> siesta 00000000004CC843 Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> siesta 00000000005B4514 Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> siesta 0000000000DEFF27 Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> siesta 000000000040411C Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> libc.so.6 00007F0CDA0B7C36 Unknown >>>>>>>>>>>> Unknown Unknown >>>>>>>>>>>> siesta 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 > >
