#PBS -l nodes=2:ppn=8
#PBS -l walltime=24:0:0
#PBS -m ae

import numpy as np
from hghmix.opt import optimize, get_crystal64

crystal = get_crystal64()

prev = open('pweights.txt').readlines()[-1].split()
weights = np.array(map(float, prev[1:]))
assert len(weights) == len(crystal)

optimize(weights=weights,
         crystal=crystal,
         penaltyfactor=12.0,
         iters=18,
         rk=2,
         atomref='atomictable.txt')