hi dear all,
i am doing a FC run over a system with 189 atoms in the unit cell (formed by making use of Supercell). but i got the error.....probably bcoz of memory? can anybody help me.? last part of my output file is: siesta: ============================== Begin FC step = 0 Undisplaced coordinates ============================== superc: Internal auxiliary supercell: 2 x 2 x 2 = 8 superc: Number of atoms, orbitals, and projectors: 1512 17928 22680 outcell: Unit cell vectors (Ang): 15.510000 0.000000 0.000000 10.062640 11.802645 0.000000 10.062640 4.643694 10.850486 outcell: Cell vector modules (Ang) : 15.510000 15.509969 15.509792 outcell: Cell angles (23,13,12) (deg): 49.5514 49.5494 49.5499 outcell: Cell volume (Ang**3) : 1986.2793 InitMesh: MESH = 192 x 192 x 192 = 7077888 InitMesh: Mesh cutoff (required, used) = 500.000 553.018 Ry * Maximum dynamic memory allocated = 880 MB *Cannot do O(N) with k-points.* Stopping Program from Node: 0 forrtl: severe (174): SIGSEGV,* segmentation fault occurred* Image PC Routine Line Source *libc.so.6* 00007FDBED094A04 Unknown Unknown Unknown siesta 00000000006E37B3 Unknown Unknown Unknown siesta 0000000000629ACF Unknown Unknown Unknown siesta 000000000056DC54 Unknown Unknown Unknown siesta 000000000052930E Unknown Unknown Unknown siesta 0000000000403B7C Unknown Unknown Unknown libc.so.6 00007FDBED036586 Unknown Unknown Unknown * *siesta 0000000000403A79 Unknown Unknown Unknown 1009u