ED.py 文件源码

def iter(self,log=None,np=None):
        '''
        The iteration of the Lanczos.

        Parameters
        ----------
        log : Log, optional
            The log file to record the iteration information.
        np : int, optional
            The number of subprocess to perform the iteration.
        '''
        t0=time.time()
        if self.method=='S' and (np is None or np<=0):
            vecs,Qs=self.controllers['vecs'],self.controllers['Qs']
            for i,lanczos in enumerate(self.controllers['lczs']):
                ts=time.time()
                while lanczos.niter<lanczos.maxiter and not lanczos.stop:
                    lanczos.iter()
                    Qs[i,:,lanczos.niter-1]=vecs.dot(lanczos.vectors[lanczos.niter-1])
                te=time.time()
                if log: log<<'%s%s%s'%('\b'*30 if i>0 else '',('%s/%s(%.2es/%.3es)'%(i+1,len(Qs),te-ts,te-t0)).center(30),'\b'*30 if i==len(Qs)-1 else '')
        elif self.method=='B':
            lanczos=self.controllers['lanczos']
            for i in xrange(lanczos.maxiter):
                ts=time.time()
                lanczos.iter()
                te=time.time()
                if log: log<<'%s%s%s'%('\b'*30 if i>0 else '',('%s/%s(%.2es/%.3es)'%(i+1,lanczos.maxiter,te-ts,te-t0)).center(30),'\b'*30 if i==lanczos.maxiter-1 else '')
        elif self.method=='S' and np is not None:
            path,Qs=os.path.dirname(os.path.realpath(__file__)),self.controllers['Qs']
            datas=[[self.controllers['vecs'],[],[]] for i in xrange(np)]
            for i,lanczos in enumerate(self.controllers['lczs']):
                datas[i%np][1].append(lanczos)
                datas[i%np][2].append(i)
            comm=MPI.COMM_SELF.Spawn(sys.executable,args=['%s/edbgf.py'%path],maxprocs=np)
            for i,data in enumerate(datas):
                comm.send(data,dest=i,tag=0)
            info,ic,nc=MPI.Status(),0,0
            while nc<np:
                data=comm.recv(source=MPI.ANY_SOURCE,tag=MPI.ANY_TAG,status=info)
                if info.Get_tag()==0:
                    for index,(_T_,P,niter),Q in data:
                        lanczos=self.controllers['lczs'][index]
                        lanczos._T_,lanczos.P,lanczos.niter=_T_,P,niter
                        Qs[index,:,:]=Q
                    nc+=1
                else:
                    ic,(index,t)=ic+1,data
                    if log: log<<'%s%s%s'%('\b'*30 if ic>1 else '',('%s/%s(%.2es/%.3es)'%(ic,len(Qs),t,time.time()-t0)).center(30),'\b'*30 if ic==len(Qs) else '')
            comm.Disconnect()
        else:
            raise ValueError('BGF iter error: not supported.')