Many thanks for kind reply sir.
========================================== Dr. Amar Bahadur (Department of Physics) Kamla Nehru Institute of Physical and Social Sciences, Sultanpur- 228 118 (U.P.) INDIA Email: [email protected] Mob.-+91-9451431428 ========================================== On 30 January 2014 13:13, Nick Papior Andersen <[email protected]> wrote: > Get more memory, you are requesting roughly 3Gb of memory (if you are > using single precision). > Remark that this memory is in addition to whatever memory siesta is > already using. > > > > 2014-01-30 Dr. Amar Bahadur <[email protected]> > > Dear users, >> While optimizing mesh cutoff I got following error >> message: Please suggest for correction. >> >> >> siesta: ============================== >> Begin CG move = 0 >> ============================== >> >> outcell: Unit cell vectors (Ang): >> 41.040000 0.000000 0.000000 >> 0.000000 41.040000 0.000000 >> 0.000000 0.000000 47.305440 >> >> outcell: Cell vector modules (Ang) : 41.040000 41.040000 47.305440 >> outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000 >> outcell: Cell volume (Ang**3) : 79675.6822 >> New_DM. Step: 1 >> Initializing Density Matrix... >> >> InitMesh: MESH = 432 x 432 x 500 = 93312000 >> InitMesh: Mesh cutoff (required, used) = 300.000 306.235 Ry >> alloc_err: allocate status error 5014 >> alloc_err: array CG requested by poison >> alloc_err: dim, lbound, ubound: 1 1 2 >> alloc_err: dim, lbound, ubound: 2 193312000 >> alloc_err: allocate error >> ERROR STOP from Node: 0 >> >> >> Amar Bahadur >> >> > > > -- > Kind regards Nick >
