diff --git a/drivers/py/pes/pet.py b/drivers/py/pes/pet.py index 7b1aa2747..8b7167c91 100644 --- a/drivers/py/pes/pet.py +++ b/drivers/py/pes/pet.py @@ -62,8 +62,8 @@ def __call__(self, cell, pos): # Do the actual calculation pot, force = self.pet_calc.forward(pet_structure) - pot_ipi = unit_to_internal("energy", "electronvolt", pot) - force_ipi = unit_to_internal("force", "ev/ang", force) + pot_ipi = np.asarray(unit_to_internal("energy", "electronvolt", pot), np.float64) + force_ipi = np.asarray(unit_to_internal("force", "ev/ang", force), np.float64) # The rascal stress is normalized by the cell volume (in rascal units) vir_pet = 0*np.eye(3) #-1 * stress * det_ut3x3(cell_pet) vir_ipi = unit_to_internal("energy", "electronvolt", vir_pet.T) diff --git a/ipi/interfaces/sockets.py b/ipi/interfaces/sockets.py index 1ad645eb0..ce888785d 100644 --- a/ipi/interfaces/sockets.py +++ b/ipi/interfaces/sockets.py @@ -170,8 +170,9 @@ def recvall(self, dest): ntimeout += 1 if ntimeout > NTIMEOUT: warning( - " @SOCKET: Couldn't receive within %5d attempts. Time to give up!" - % (NTIMEOUT), + """ @SOCKET: Couldn't receive within %5d attempts. Time to give up! + @SOCKET: Current data stream: %d / %d - %s """ + % (NTIMEOUT, bpos, blen, self._buf), verbosity.low, ) raise Disconnected()