Thanks for your help. On Wed, Mar 30, 2016 at 4:54 PM, Nick Papior <nickpap...@gmail.com> wrote:
> It works if you have enough memory. So this problem is related to the > available amount of RAM on your machine. > > > 2016-03-30 11:04 GMT+00:00 Manjeet Bhatia <manjeetbhati...@gmail.com>: > > Dear Sir, > > > > Thank you so much for your prompt reply. But it works in case of > Si_optical > > properties. > > > > Regards, > > > > Manjeet > > > > On Wed, Mar 30, 2016 at 4:22 PM, Nick Papior <nickpap...@gmail.com> > wrote: > >> > >> This is a known problem and have been fixed in later revisions (the > >> next release will contain this fix). > >> > >> If you wish to temporarily circumvent you can try and do non-parallel > >> calculation. This will possibly work. > >> > >> 2016-03-30 12:46 GMT+02:00 Manjeet Bhatia <manjeetbhati...@gmail.com>: > >> > Dear Siesta Users, > >> > > >> > I am calculating optical properties with the following parameters in > my > >> > input file eg (MgO), > >> > ======================================= > >> > OpticalCalculation .true. > >> > > >> > %block Optical.Mesh > >> > 20 20 20 > >> > %endblock Optical.Mesh > >> > > >> > Optical.OffsetMesh .true. > >> > > >> > Optical.PolarizationType polarized > >> > > >> > %block Optical.Vector > >> > 1.0 0.0 0.0 > >> > %endblock Optical.Vector > >> > > >> > Optical.Broaden 0.2 eV > >> > > >> > Optical.EnergyMaximum 10.0 eV > >> > > >> > Optical.EnergyMinimum 0.0 eV > >> > ============================================================ > >> > > >> > And I got error......... > >> > > >> > Optical: Performing optical calculation: > >> > > >> > Optical: Polarization type = polarized > >> > Optical: Minimum of energy range = 0.0000 Ry > >> > Optical: Maximum of energy range = 1.4700 Ry > >> > Optical: Gaussian broadening = 0.0147 Ry > >> > Optical: Scissor operator = 0.0000 Ry > >> > Optical: Number of bands = 18 > >> > Optical: Number of electrons = 8 > >> > Optical: BZ mesh dimensions = 20 20 20 > >> > > >> > Optical: electric field direction > >> > Optical: 1.00000 0.00000 0.00000 > >> > alloc_err: allocate status error 5014 > >> > alloc_err: array Pij requested by phirphi_opt > >> > alloc_err: dim, lbound, ubound: 1 1 15000 > >> > alloc_err: dim, lbound, ubound: 2 1 15000 > >> > alloc_err: dim, lbound, ubound: 3 1 2 > >> > alloc_err: allocate error > >> > Stopping Program from Node: 0 > >> > > >> > > >> > Thanks. > >> > > >> > >> > >> > >> -- > >> Kind regards Nick > > > > > > > > -- > Kind regards Nick >
