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
