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.
arch.make
Description: Binary data
arch.make
Description: Binary data
