def estimate_memory(self, mem, wfs): Eigensolver.estimate_memory(self, mem, wfs) nbands = wfs.bd.nbands mem.subnode("H_nn", nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode("S_nn", nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode("H_2n2n", 4 * nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode("S_2n2n", 4 * nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode("eps_2n", 2 * nbands * mem.floatsize)
def estimate_memory(self, mem, wfs): Eigensolver.estimate_memory(self, mem, wfs) nbands = wfs.bd.nbands mem.subnode('H_nn', nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode('S_nn', nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode('H_2n2n', 4 * nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode('S_2n2n', 4 * nbands * nbands * mem.itemsize[wfs.dtype]) mem.subnode('eps_2n', 2 * nbands * mem.floatsize)
def estimate_memory(self, mem, gd, dtype, mynbands, nbands): Eigensolver.estimate_memory(self, mem, gd, dtype, mynbands, nbands) itemsize = mem.itemsize[dtype] mem.subnode('H_nn', nbands * nbands * mem.itemsize[dtype]) mem.subnode('S_nn', nbands * nbands * mem.itemsize[dtype]) mem.subnode('H_2n2n', 4 * nbands * nbands * mem.itemsize[dtype]) mem.subnode('S_2n2n', 4 * nbands * nbands * mem.itemsize[dtype]) mem.subnode('eps_2n', 2 * nbands * mem.floatsize)
def estimate_memory(self, mem, gd, dtype, mynbands, nbands): Eigensolver.estimate_memory(self, mem, gd, dtype, mynbands, nbands) gridmem = gd.bytecount(dtype) mem.subnode('phi_G', gridmem) mem.subnode('phi_old_G', gridmem)