Révision 8 ase/calculators/turbomole.py

turbomole.py (revision 8)
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            # the sub process gets started here
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            proc = Popen([command], shell=True, stderr=PIPE)
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            error = proc.communicate()[1]
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            # check the error output
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            with open("control") as file:
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                data = file.read()
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                if "$actual step" in data:
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                    raise OSError(error)
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            # check the control file for "actual step" keyword
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            file = open("control")
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            data = file.read()
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            if "$actual step" in data:
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                raise OSError(error)
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            # print "TM command: ", command, "successfully executed"
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        except OSError, e:
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            print >>sys.stderr, "Execution failed: ", e

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