the error I get seems to complain about the wrong tags (see below).
The same behaviour happens replacing a tag with a wrong one, and even just changing the order of e.g. status and cputime (is it expected that the order has to be preserved, by the way?)
Errors:
failed validating <Element '{http://www.quantum-espresso.org/ns/qes/qes-1.0}espresso' at 0x10f20a650> with XsdElement(name='input').
Reason: The child n.7 of element u'qes:espresso' has a unexpected tag 'cputime'. Tag 'input' expected.
Schema:
<xs:element xmlns:xs="http://www.w3.org/2001/XMLSchema" name="input" type="qes:inputType" />
Instance:
<ns0:espresso xmlns:ns0="http://www.quantum-espresso.org/ns/qes/qes-1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" Units="Hartree atomic units" xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes-1.0.xsd">
<general_info>
<xml_format NAME="QEXSD" VERSION="0.1.0">QEXSD_0.1.0</xml_format>
<creator NAME="PWSCF" VERSION="6.3MaX">XML file generated by PWSCF</creator>
<created DATE="16Jul2018" TIME="10:31:59">This run was terminated on: 10:31:59 16 Jul 2018</created>
<job />
</general_info>
<parallel_info>
<nprocs>1</nprocs>
<nthreads>1</nthreads>
<ntasks>1</ntasks>
<nbgrp>1</nbgrp>
<npool>1</npool>
<ndiag>1</ndiag>
</parallel_info>
<input>
<control_variables>
<title />
<calculation>scf</calculation>
...
</ns0:espresso>
and
failed validating <Element '{http://www.quantum-espresso.org/ns/qes/qes-1.0}espresso' at 0x10f20a650> with XsdElement(name='input').
Reason: The child n.8 of element u'qes:espresso' has a unexpected tag 'closed'. Tag 'input' expected.
Schema:
<xs:element xmlns:xs="http://www.w3.org/2001/XMLSchema" name="input" type="qes:inputType" />
Instance:
<ns0:espresso xmlns:ns0="http://www.quantum-espresso.org/ns/qes/qes-1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" Units="Hartree atomic units" xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes-1.0.xsd">
<general_info>
<xml_format NAME="QEXSD" VERSION="0.1.0">QEXSD_0.1.0</xml_format>
<creator NAME="PWSCF" VERSION="6.3MaX">XML file generated by PWSCF</creator>
<created DATE="16Jul2018" TIME="10:31:59">This run was terminated on: 10:31:59 16 Jul 2018</created>
<job />
</general_info>
<parallel_info>
<nprocs>1</nprocs>
<nthreads>1</nthreads>
<ntasks>1</ntasks>
<nbgrp>1</nbgrp>
<npool>1</npool>
<ndiag>1</ndiag>
</parallel_info>
<input>
<control_variables>
<title />
<calculation>scf</calculation>
...
</ns0:espresso>
I take a valid XML output of QE, ending in e.g.
That validates correctly.
If I add a new extraneous tag
something
the error I get seems to complain about the wrong tags (see below).
The same behaviour happens replacing a tag with a wrong one, and even just changing the order of e.g.
status
andcputime
(is it expected that the order has to be preserved, by the way?)Errors:
and