[bench] measure_g2 hubbard_atom_2bath update scripts

benchmark/measure_g2/hubbard_atom_2bath/calc_cthyb.py

@@ -19,6 +19,7 @@
 from triqs.operators import *
 from h5 import HDFArchive
 from triqs_cthyb import Solver
+import triqs_cthyb.version
 
 # ----------------------------------------------------------------------    
 if __name__ == '__main__':
@@ -128,6 +129,10 @@ def __init__(self):
 
     d.perturbation_order = solv.perturbation_order
     d.perturbation_order_total = solv.perturbation_order_total
+
+    d.version = triqs_cthyb.version.version
+    d.triqs_hash = triqs_cthyb.version.triqs_hash
+    d.triqs_cthyb_hash = triqs_cthyb.version.triqs_cthyb_hash
 
     # ------------------------------------------------------------------
     # -- Store results

benchmark/measure_g2/hubbard_atom_2bath/calc_ed.py

@@ -97,21 +97,24 @@ def __init__(self):
 
     imtime = MeshImTime(beta, 'Fermion', ntau)
     prodmesh = MeshProduct(imtime, imtime, imtime)
+
     G2opt = dict(mesh=prodmesh, target_shape=[])
+    G2opt_1111 = dict(mesh=prodmesh, target_shape=[1, 1, 1, 1])
 
-    G02_tau = Gf(name='$G^{(2)}_0(\tau_1, \tau_2, \tau_3)$', **G2opt)
+    G02_tau = Gf(name='$G^{(2)}_0(\tau_1, \tau_2, \tau_3)$', **G2opt_1111)
     ed.set_g40_tau(G02_tau, d.G_tau)
 
     G2_tau = Gf(name='$G^{(2)}(\tau_1, \tau_2, \tau_3)$', **G2opt)
     ed.set_g4_tau(G2_tau, c_dag(up,0), c(up,0), c_dag(do,0), c(do,0))
 
-    G2opt_1111 = dict(mesh=prodmesh, target_shape=[1, 1, 1, 1])
-
-    d.G02_tau = Gf(**G2opt_1111)
+    #d.G02_tau = Gf(**G2opt_1111)
     d.G2_tau = Gf(**G2opt_1111)
 
-    d.G02_tau.data[:, :, :, 0, 0, 0, 0] = G02_tau.data
+    #d.G02_tau.data[:, :, :, 0, 0, 0, 0] = G02_tau.data
     d.G2_tau.data[:, :, :, 0, 0, 0, 0] = G2_tau.data
+
+    d.G02_tau = G02_tau
+    #d.G2_tau = G2_tau
 
     # ------------------------------------------------------------------
     # -- Store to hdf5

benchmark/measure_g2/hubbard_atom_2bath/calc_pomerol.py

@@ -44,9 +44,9 @@ def __init__(self):
     d = Dummy() # storage space
     d.params = params
 
-    print('--> Solving SIAM with parameters')
+    if mpi.is_master_node(): print('--> Solving SIAM with parameters')
     for key, value in list(params.items()):
-        print('%10s = %-10s' % (key, str(value)))
+        if mpi.is_master_node(): print('%10s = %-10s' % (key, str(value)))
         globals()[key] = value # populate global namespace
 
     # ------------------------------------------------------------------
@@ -82,7 +82,7 @@ def __init__(self):
     ed = PomerolED(index_converter, verbose=True)
     ed.diagonalize(d.H) # -- Diagonalize H
 
-    gf_struct = [[up, [0]], [do, [0]]]
+    gf_struct = [[up, 1], [do, 1]]
 
     # -- Single-particle Green's functions
     G_iw = ed.G_iw(gf_struct, beta, n_iw=niw)
@@ -111,11 +111,12 @@ def __init__(self):
 
     # ------------------------------------------------------------------
     # -- Store to hdf5
-
-    filename = 'data_pomerol.h5'
-    with HDFArchive(filename,'w') as res:
-        for key, value in list(d.__dict__.items()):
-            res[key] = value
+
+    if mpi.is_master_node():
+        filename = 'data_pomerol.h5'
+        with HDFArchive(filename,'w') as res:
+            for key, value in list(d.__dict__.items()):
+                res[key] = value
 
 # ----------------------------------------------------------------------
 if __name__ == '__main__':