def build(self):
self.comm.Barrier()
print '[molinfo.build] rank=', self.comm.rank
#
# tmpdir:
# dirname = dateMar_29_13_07_20_2016_rank3_pid71559_mpo_dmrg
#
pid = str(os.getpid())
dat = string.join(time.asctime().split(':'))
dat = string.join(dat.split(' ')[1:], '_')
suffix = 'date' + dat + '_rank' + str(self.comm.rank) + '_pid' + pid
dirname = suffix + '_mpo_dmrg'
self.path = self.tmpdir + dirname
sysutil_io.createDIR(self.path)
return 0
def evalPropsNQt(dmrg,fbmps,fkmps,fop,status,debug=False):
t0 = time.time()
# sites
bnsite = fbmps['nsite'].value
knsite = fkmps['nsite'].value
assert bnsite == knsite
nsite = bnsite
nop = fop['nop'].value
if debug:
print ' nop = ',nop
print ' nsite = ',nsite
# Create directory - maybe we could use dmrg.path+'/tmpdirProps' in future
path = dmrg.path+'/tmpdirProps'
sysutil_io.createDIR(path,debug)
fname = path+'/trop'
prefix = fname+'_site_'
# L->R sweeps
if status == 'L':
mpo_dmrg_init.genBopsNQt(fname,nop,-1)
for isite in range(0,nsite):
if debug: print ' isite=',isite,' of nsite=',nsite
ti = time.time()
f0 = h5py.File(prefix+str(isite-1),"r")
f1name = prefix+str(isite)
f1 = h5py.File(f1name,"w")
bsite = mpo_dmrg_io.loadSite(fbmps,isite,False)
ksite = mpo_dmrg_io.loadSite(fkmps,isite,False)
if isite == nsite-1: exphop = numpy.zeros(nop,dtype=dmrg_dtype)
for iop in range(nop):
if debug: print ' iop=',iop,' of nop=',nop
cop = fop['site'+str(isite)+'/op'+str(iop)].value
tmp = f0['opers'+str(iop)].value
#--- kernel ---
tmp = numpy.tensordot(bsite.conj(),tmp,axes=([0],[1]))
tmp = numpy.tensordot(cop,tmp,axes=([0,2],[2,0]))
tmp = numpy.tensordot(tmp,ksite,axes=([1,3],[1,0]))
#--- kernel ---
f1['opers'+str(iop)] = tmp
# Get the expectation value <psi|Hx|psi> at the boundary
if isite == nsite-1: exphop[iop] = tmp[0,0,0]
f0.close()
f1.close()
# final isite
tf = time.time()
if debug: print ' isite =',os.path.split(f1name)[-1],\
' nop =',nop,' t = %.2f s'%(tf-ti)
elif status == 'R':
mpo_dmrg_init.genBopsNQt(fname,nop,nsite)
for isite in range(nsite-1,-1,-1):
if debug: print ' isite=',isite,' of nsite=',nsite
ti = time.time()
f0 = h5py.File(prefix+str(isite+1),"r")
f1name = prefix+str(isite)
f1 = h5py.File(f1name,"w")
bsite = mpo_dmrg_io.loadSite(fbmps,isite,False)
ksite = mpo_dmrg_io.loadSite(fkmps,isite,False)
if isite == 0: exphop = numpy.zeros(nop,dtype=dmrg_dtype)
for iop in range(nop):
if debug: print ' iop=',iop,' of nop=',nop
cop = fop['site'+str(isite)+'/op'+str(iop)].value
tmp = f0['opers'+str(iop)].value
#--- kernel ---
tmp = numpy.tensordot(bsite.conj(),tmp,axes=([2],[1]))
tmp = numpy.tensordot(cop,tmp,axes=([1,2],[2,1]))
tmp = numpy.tensordot(tmp,ksite,axes=([1,3],[1,2]))
#--- kernel ---
f1['opers'+str(iop)] = tmp
# Get the expectation value <psi|Hx|psi> at the boundary
if isite == 0: exphop[iop] = tmp[0,0,0]
f0.close()
f1.close()
# final isite
tf = time.time()
if debug: print ' isite =',os.path.split(f1name)[-1],\
' nop =',nop,' t = %.2f s'%(tf-ti)
# final
sysutil_io.deleteDIR(path,1,debug)
t1=time.time()
if debug: print ' time for evalProps = %.2f s'%(t1-t0)
return exphop
def evalPropsQt(dmrg,fbmps,fkmps,fop,status,debug=False):
t0 = time.time()
# sites
bnsite = fbmps['nsite'].value
knsite = fkmps['nsite'].value
assert bnsite == knsite
nsite = bnsite
nop = fop['nop'].value
if debug:
print ' nop = ',nop
print ' nsite = ',nsite
# Create directory
path = dmrg.path+'/tmpdirProps'
sysutil_io.createDIR(path,debug)
fname = path+'/trop'
prefix = fname+'_site_'
# L->R sweeps
if status == 'L':
mpo_dmrg_initQt.genBopsQt(dmrg,fname,nop,-1,ifslc=False)
lop = qtensor.qtensor()
cop = qtensor.qtensor()
for isite in range(0,nsite):
if debug: print ' isite=',isite,' of nsite=',nsite
ti = time.time()
f0 = h5py.File(prefix+str(isite-1),"r")
f1name = prefix+str(isite)
f1 = h5py.File(f1name,"w")
bsite = mpo_dmrg_io.loadSite(fbmps,isite,True)
ksite = mpo_dmrg_io.loadSite(fkmps,isite,True)
# Lower the symmetry
if dmrg.ifs2proj:
bsite = bsite.reduceQsymsToN()
ksite = ksite.reduceQsymsToN()
if isite == nsite-1: exphop = numpy.zeros(nop,dtype=dmrg_dtype)
for iop in range(nop):
if debug: print ' iop=',iop,' of nop=',nop
# COP
cop.load(fop,'site'+str(isite)+'/op'+str(iop))
# LOP
lop.load(f0,'opers'+str(iop))
#--- kernel ---
tmp = qtensor.tensordot(bsite,lop,axes=([0],[1]),ifc1=True)
tmp = qtensor.tensordot(cop,tmp,axes=([0,2],[2,0]))
tmp = qtensor.tensordot(tmp,ksite,axes=([1,3],[1,0]))
#--- kernel ---
tmp.dump(f1,'opers'+str(iop))
# Get the expectation value <psi|Hx|psi> at the boundary
if isite == nsite-1: exphop[iop] = tmp.value
f0.close()
f1.close()
# final isite
tf = time.time()
if debug: print ' isite =',os.path.split(f1name)[-1],\
' nop =',nop,' t = %.2f s'%(tf-ti)
elif status == 'R':
mpo_dmrg_initQt.genBopsQt(dmrg,fname,nop,nsite,ifslc=False)
rop = qtensor.qtensor()
cop = qtensor.qtensor()
for isite in range(nsite-1,-1,-1):
if debug: print ' isite=',isite,' of nsite=',nsite
ti = time.time()
f0 = h5py.File(prefix+str(isite+1),"r")
f1name = prefix+str(isite)
f1 = h5py.File(f1name,"w")
bsite = mpo_dmrg_io.loadSite(fbmps,isite,dmrg.ifQt)
ksite = mpo_dmrg_io.loadSite(fkmps,isite,dmrg.ifQt)
# Lower the symmetry
if dmrg.ifs2proj:
bsite = bsite.reduceQsymsToN()
ksite = ksite.reduceQsymsToN()
if isite == 0: exphop = numpy.zeros(nop,dtype=dmrg_dtype)
for iop in range(nop):
if debug: print ' iop=',iop,' of nop=',nop
# COP
cop.load(fop,'site'+str(isite)+'/op'+str(iop))
cop.qsyms[0] = -cop.qsyms[0]
cop.qsyms[1] = -cop.qsyms[1]
cop.status[0] = ~cop.status[0]
cop.status[1] = ~cop.status[1]
# ROP
rop.load(f0,'opers'+str(iop))
#--- kernel ---
tmp = qtensor.tensordot(bsite,rop,axes=([2],[1]),ifc1=True)
tmp = qtensor.tensordot(cop,tmp,axes=([1,2],[2,1]))
tmp = qtensor.tensordot(tmp,ksite,axes=([1,3],[1,2]))
#--- kernel ---
tmp.dump(f1,'opers'+str(iop))
# Get the expectation value <psi|Hx|psi> at the boundary
if isite == 0: exphop[iop] = tmp.value
f0.close()
f1.close()
# final isite
tf = time.time()
if debug: print ' isite =',os.path.split(f1name)[-1],\
' nop =',nop,' t = %.2f s'%(tf-ti)
# final
sysutil_io.deleteDIR(path,1,debug)
t1=time.time()
if debug: print ' time for evalProps = %.2f s'%(t1-t0)
return exphop