import time import sys import numpy as np import gsh_cub_tri_L0_16 as gsh import euler_func as ef """Initialize important variables""" indxvec = gsh.gsh_basis_info() N_L = indxvec.shape[0] print "N_L = %s" % N_L # N_L = 10 phi1max = 360 phimax = 90 phi2max = 90 inc = 10. """Retrieve Euler angle set""" p1 = np.float32(sys.argv[1]) P = np.float32(sys.argv[2]) p2 = np.float32(sys.argv[3]) Leval = np.int16(sys.argv[4]) euler = np.array([[p1, P, p2]]) n_tot = 1 """Perform the symmetry check""" symop = ef.symcub() n_sym = symop.shape[0]
def const():
C = {}
"""general constants"""
C['path'] = '/gpfs/pace1/project/me-kalidindi/shared/dir_nhp_test'
"""for read_input_data"""
C['read_njobs'] = 60
C['read_mem'] = 8
C['read_walltime'] = 4
C['read_scriptname'] = 'read_input_data.py'
C['read_output'] = 'var_extract_%s.hdf5'
"""for combine_input_data.py"""
C['combineread_scriptname'] = 'combine_input_data.py'
C['combineread_output'] = 'var_extract_total.hdf5'
"""for Xcalc_GSH_parallel"""
C['XcalcGSH_njobs'] = 1
C['XcalcGSH_nchunks'] = 1
C['XcalcGSH_mem'] = 4
C['XcalcGSH_walltime'] = 1
C['XcalcGSH_scriptname'] = 'Xcalc_GSH_parallel.py'
C['XcalcGSH_output'] = 'X_parts_GSH_%s.hdf5'
"""for Xcalc_cos"""
C['Xcalccos_scriptname'] = 'Xcalc_cos.py'
C['Xcalccos_output'] = 'X_parts_cos.hdf5'
"""for combine_input_data.py"""
C['combineXcalc_scriptname'] = 'combine_Xcalc.py'
C['combineXcalc_output'] = 'X_parts.hdf5'
"""for integrate_parallel"""
C['integrate_njobs'] = 1
C['integrate_mem'] = 4
C['integrate_walltime'] = 1
C['integrate_scriptname'] = 'integrate_parallel.py'
C['integrate_output'] = 'coef_prt_%s.hdf5'
"""for combine_coef.py"""
C['combinecoef_scriptname'] = 'combine_coef.py'
C['combinecoef_coef'] = 'coef.hdf5'
C['combinecoef_results'] = 'final_results.hdf5'
"""define variables related to the angles"""
C['thetamax'] = 60 # theoretical max theta in degrees
C['phi1max'] = 360 # theoretical max phi1 in degrees
C['phimax'] = 90 # theoretical max Phi in degrees
C['phi2max'] = 90 # theoretical max phi2 in degrees
C['inc'] = 10.0 # degree increment for euler angles
# n_th: number of theta samples for FZ
C['n_th'] = np.int64(C['thetamax'] / C['inc'])
# n_p1 number of phi1 samples for FZ
C['n_p1'] = np.int64(C['phi1max'] / C['inc'])
# n_P: number of Phi sample for FZ
C['n_P'] = np.int64(C['phimax'] / C['inc'])
# n_p2: number of phi2 sample for FZ
C['n_p2'] = np.int64(C['phi2max'] / C['inc'])
# n_eul: total number of orientations
C['n_eul'] = C['n_p1'] * C['n_P'] * C['n_p2']
C['L_th'] = C['thetamax'] * (np.pi / 180.) # range of theta in radians
C['bsz_th'] = C['L_th'] / C['n_th']
# domain_eul_sz is the integration domain in radians
C['domain_eul_sz'] = C['phi1max'] * C['phimax'] * C['phi2max'] * (np.pi /
180.)**3
# full_eul_sz is the size of euler space in radians
C['full_eul_sz'] = (2 * np.pi) * (np.pi) * (2 * np.pi)
C['eul_frac'] = C['domain_eul_sz'] / C['full_eul_sz']
C['fzsz_eul'] = 1. / (C['eul_frac'] * 8. * np.pi**2)
C['bsz_eul'] = C['domain_eul_sz'] / C['n_eul']
"""define variables required for integration"""
LL_p = 4 # gsh truncation level
indxvec = gsh.gsh_basis_info()
C['N_p'] = np.sum(indxvec[:, 0] <= LL_p) # number of GSH bases to evaluate
C['N_q'] = C['n_th'] # number of cosine bases to evaluate for theta
C['N_tuple'] = [C['N_p'], C['N_q']]
C['cmax'] = C['N_p'] * C['N_q']
return C