#!/usr/bin/python # -*- coding: UTF-8 no BOM -*- import threading,time,os,subprocess,shlex,string import numpy as np from scipy.optimize import curve_fit from scipy.linalg import svd from optparse import OptionParser import damask scriptID = '$Id$' scriptName = scriptID.split()[1] def execute(cmd,dir='./'): initialPath=os.getcwd() os.chdir(dir) out = '' line = True process = subprocess.Popen(shlex.split(cmd),stdout=subprocess.PIPE,stderr = subprocess.STDOUT) while line: line = process.stdout.readline() out += line os.chdir(initialPath) def asFullTensor(voigt): return np.array([[voigt[0],voigt[3],voigt[5]],\ [voigt[3],voigt[1],voigt[4]],\ [voigt[5],voigt[4],voigt[2]]]) def Hill48(x, F,G,H,L,M,N): a = F*(x[1]-x[2])**2 + G*(x[2]-x[0])**2 + H*(x[0]-x[1])** + \ 2*L*x[4]**2 + 2*M*x[5]**2 + 2*N*x[3]**2 -1. return a.ravel() def vonMises(x, S_y): sv=np.zeros(0,'d') for i in xrange(np.shape(x)[1]): U, l, Vh = svd(np.array(x[:,i]).reshape(3,3)) sv = np.append(sv,l) sv = sv.reshape(np.shape(x)[1],3) ooo = (sv[:,2]-sv[:,1])**2+(sv[:,1]-sv[:,0])**2+(sv[:,0]-sv[:,2])**2-2*S_y**2 return ooo.ravel() fittingCriteria = { 'vonMises':{'fit':np.ones(1,'d'),'err':np.inf}, 'hill48' :{'fit':np.ones(6,'d'),'err':np.inf}, 'worst' :{'err':np.inf}, 'best' :{'err':np.inf} } thresholdParameter = ['totalshear','equivalentStrain'] #--------------------------------------------------------------------------------------------------- class Loadcase(): #--------------------------------------------------------------------------------------------------- ''' Class for generating load cases for the spectral solver ''' # ------------------------------------------------------------------ def __init__(self,finalStrain,incs,time): print('using the random load case generator') self.finalStrain = finalStrain self.incs = incs self.time = time def getLoadcase(self,N=0): defgrad=['*']*9 stress =[0]*9 values=(np.random.random_sample(9)-.5)*self.finalStrain*2 main=np.array([0,4,8]) np.random.shuffle(main) for i in main[:2]: # fill 2 out of 3 main entries defgrad[i]=1.+values[i] stress[i]='*' for off in [[1,3,0],[2,6,0],[5,7,0]]: # fill 3 off-diagonal pairs of defgrad (1 or 2 entries) off=np.array(off) np.random.shuffle(off) for i in off[0:2]: if i != 0: defgrad[i]=values[i] stress[i]='*' return 'f '+' '.join(str(c) for c in defgrad)+\ ' p '+' '.join(str(c) for c in stress)+\ ' incs %s'%self.incs+\ ' time %s'%self.time #--------------------------------------------------------------------------------------------------- class Criterion(object): #--------------------------------------------------------------------------------------------------- ''' Fitting to certain criterion ''' def __init__(self,name='worst'): self.name = name self.results = fittingCriteria if self.name.lower() not in map(str.lower, self.results.keys()): raise Exception('no suitable fitting criterion selected') else: print('fitting to the %s criterion'%name) def fit(self,stress): try: #popt1[0], pcov = curve_fit(self.vonMises, stress, np.zeros(np.shape(stress)[1]),p0=popt1[0]) popt, pcov = curve_fit(vonMises, stress, np.zeros(np.shape(stress)[1])) perr = np.sqrt(np.diag(pcov)) print 'Mises', popt, perr except Exception as detail: print detail pass try: popt, pcov = curve_fit(Hill48, stress, np.zeros(np.shape(stress)[1])) #popt1[1], pcov = curve_fit(self.Hill48, stress, np.zeros(np.shape(stress)[1]),p0=popt1[1]) perr = np.sqrt(np.diag(pcov)) print 'Hill48', popt, perr except Exception as detail: print detail pass #--------------------------------------------------------------------------------------------------- class myThread (threading.Thread): #--------------------------------------------------------------------------------------------------- ''' Runner class ''' def __init__(self, threadID): threading.Thread.__init__(self) self.threadID = threadID def run(self): s.acquire() conv=converged() s.release() while not conv: doSim(4.,self.name) s.acquire() conv=converged() s.release() def doSim(delay,thread): s.acquire() me=getLoadcase() if not os.path.isfile('%s.load'%me): print('generating loadcase for sim %s from %s'%(me,thread)) f=open('%s.load'%me,'w') f.write(myLoad.getLoadcase(me)) f.close() s.release() else: s.release() s.acquire() if not os.path.isfile('%s_%i.spectralOut'%(options.geometry,me)): print('starting simulation %s from %s'%(me,thread)) s.release() execute('DAMASK_spectral -g %s -l %i'%(options.geometry,me)) else: s.release() s.acquire() if not os.path.isfile('./postProc/%s_%i.txt'%(options.geometry,me)): print('starting post processing for sim %i from %s'%(me,thread)) s.release() try: execute('postResults --cr f,p --co totalshear %s_%i.spectralOut'%(options.geometry,me)) except: execute('postResults --cr f,p %s_%i.spectralOut'%(options.geometry,me)) execute('addCauchy ./postProc/%s_%i.txt'%(options.geometry,me)) execute('addStrainTensors -l -v ./postProc/%s_%i.txt'%(options.geometry,me)) execute('addMises -s Cauchy -e ln(V) ./postProc/%s_%i.txt'%(options.geometry,me)) else: s.release() s.acquire() print('reading values for sim %i from %s'%(me,thread)) s.release() refFile = open('./postProc/%s_%i.txt'%(options.geometry,me)) table = damask.ASCIItable(refFile) table.head_read() if options.fitting =='equivalentStrain' : for l in ['Mises(ln(V))','1_Cauchy']: if l not in table.labels: print '%s not found'%l while table.data_read(): if float(table.data[table.labels.index('Mises(ln(V))')]) > options.yieldValue: yieldStress = np.array(table.data[table.labels.index('1_Cauchy'):table.labels.index('9_Cauchy')+1],'d')/10.e8 elif options.fitting =='totalshear' : for l in ['totalshear','1_Cauchy']: if l not in table.labels: print '%s not found'%l while table.data_read(): if float(table.data[table.labels.index('totalshear')]) > options.yieldValue: yieldStress = np.array(table.data[table.labels.index('1_Cauchy'):table.labels.index('9_Cauchy')+1],'d')/10.e8 s.acquire() global stressAll stressAll=np.append(yieldStress,stressAll) print np.shape(stressAll) print('starting fitting for sim %i from %s'%(me,thread)) myFit.fit(stressAll.reshape(len(stressAll)//9,9).transpose()) s.release() def getLoadcase(): global N_simulations N_simulations+=1 return N_simulations def converged(): global N_simulations if N_simulations < options.max: return False else: return True # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """ Performs calculations with various loads on given geometry file and fits yield surface. """, version=string.replace(scriptID,'\n','\\n') ) parser.add_option('-l','--load' , dest='load', type='float', nargs=3, help='load: final strain; increments; time %default', metavar='float int float') parser.add_option('-g','--geometry', dest='geometry', type='string', help='name of the geometry file [%default]', metavar='string') parser.add_option('--criterion', dest='criterion', action='store', choices=fittingCriteria.keys(), help='criterion for stopping simulations [%default]', metavar='string') parser.add_option('--fitting', dest='fitting', action='store', choices=thresholdParameter, help='yield criterion [%default]', metavar='string') parser.add_option('--yieldvalue', dest='yieldValue', action='store', type='float', help='yield criterion [%default]', metavar='float') parser.add_option('--min', dest='min', type='int', help='minimum number of simulations [%default]', metavar='int') parser.add_option('--max', dest='max', type='int', help='maximum number of iterations [%default]', metavar='int') parser.add_option('--threads', dest='threads', type='int', help='number of parallel executions [%default]', metavar='int') parser.set_defaults(min = 12) parser.set_defaults(max = 30) parser.set_defaults(threads = 4) parser.set_defaults(yieldValue = 0.002) parser.set_defaults(load = [0.008,80,80.0]) parser.set_defaults(criterion = 'worst') parser.set_defaults(fitting = 'totalshear') parser.set_defaults(geometry = '20grains16x16x16') options = parser.parse_args()[0] if not os.path.isfile(options.geometry+'.geom'): parser.error('geometry file %s.geom not found'%options.geometry) if not os.path.isfile('material.config'): parser.error('material.config file not found') if options.threads<1: parser.error('invalid number of threads %i'%options.threads) if options.min<0: parser.error('invalid minimum number of simulations %i'%options.min) if options.max