Small fixes for parallel

parent edc49a9e
Pipeline #106583543 passed with stage
in 3 minutes and 22 seconds
......@@ -18,7 +18,7 @@ for soft in [False]:
ghat_Lg = LFC(gd, [ghat_l])
ghat_Lg.set_positions([(0.54321, 0.5432, 0.543)])
a_Lg[:] = 0.0
ghat_Lg.add(a_Lg, {0: c_LL})
ghat_Lg.add(a_Lg, {0: c_LL} if ghat_Lg.my_atom_indices else {})
for l in range(3):
for m in range(2 * l + 1):
L = l**2 + m
......
......@@ -268,6 +268,8 @@ if 1: # not hasattr(_gpaw, 'mmm'):
a.reshape((len(a), -1)).T.conj())
def rk(alpha, a, beta, c, trans='c'): # noqa
if c.size == 0:
return
if beta == 0:
c[:] = 0.0
else:
......@@ -275,10 +277,12 @@ if 1: # not hasattr(_gpaw, 'mmm'):
if trans == 'n':
c += alpha * a.conj().T.dot(a)
else:
c += alpha * a.reshape((len(a), -1)).dot(
a.reshape((len(a), -1)).conj().T)
a = a.reshape((len(a), -1))
c += alpha * a.dot(a.conj().T)
def r2k(alpha, a, b, beta, c): # noqa
if c.size == 0:
return
if beta == 0.0:
c[:] = 0.0
else:
......
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