header
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
Attribute |
Value |
|---|---|
source |
GROMACS log |
id |
header |
name |
GROMACS header |
pattern |
\s*Log\sfile\sopened\son.* |
pattern2 |
\s*GROMACS:.*VERSION.* |
pattern3 |
.*GROMACS\s*-\s*gmx.* |
endPattern |
\s*GROMACS\sis\sfree\ssoftware.* |
endOffset |
4 |
xml:base |
header.xml |
Input
Log file opened on Mon Mar 9 11:10:22 2020
Host: node2178 pid: 24169 rank ID: 0 number of ranks: 1
GROMACS: gmx mdrun, VERSION 5.0.2
GROMACS is written by:
Emile Apol Rossen Apostolov Herman J.C. Berendsen Par Bjelkmar
Aldert van Buuren Rudi van Drunen Anton Feenstra Sebastian Fritsch
Gerrit Groenhof Christoph Junghans Peter Kasson Carsten Kutzner
Per Larsson Justin A. Lemkul Magnus Lundborg Pieter Meulenhoff
Erik Marklund Teemu Murtola Szilard Pall Sander Pronk
Roland Schulz Alexey Shvetsov Michael Shirts Alfons Sijbers
Peter Tieleman Christian Wennberg Maarten Wolf
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2014, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
Input
:-) GROMACS - gmx mdrun, 2021.5 (-:
GROMACS is written by:
Andrey Alekseenko Emile Apol Rossen Apostolov
Paul Bauer Herman J.C. Berendsen Par Bjelkmar
Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra
Gilles Gouaillardet Alan Gray Gerrit Groenhof
Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan
Dimitrios Karkoulis Peter Kasson Jiri Kraus
Carsten Kutzner Per Larsson Justin A. Lemkul
Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola
Szilard Pall Sander Pronk Roland Schulz
Michael Shirts Alexey Shvetsov Alfons Sijbers
Peter Tieleman Jon Vincent Teemu Virolainen
Christian Wennberg Maarten Wolf Artem Zhmurov
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
Output text
1<comment class="example.output" id="header">
2 <module cmlx:templateRef="header">
3 <module cmlx:templateRef="rundate">
4 <scalar dataType="xsd:date" dictRef="cc:runDate">2020-03-09T11:10:22.000+01:00</scalar>
5 <scalar dataType="xsd:string" dictRef="cc:hostName">node2178</scalar>
6 <scalar dataType="xsd:integer" dictRef="gm:numRanks">1</scalar>
7 </module>
8 <module cmlx:templateRef="program">
9 <scalar dataType="xsd:string" dictRef="cc:program">GROMACS</scalar>
10 <scalar dataType="xsd:string" dictRef="cc:programVersion">5.0.2</scalar>
11 </module>
12 <module cmlx:templateRef="authors">
13 <scalar dataType="xsd:string" dictRef="gm:unparsed">GROMACS is written by:</scalar>
14 <scalar dataType="xsd:string" dictRef="gm:unparsed">Emile Apol Rossen Apostolov Herman J.C. Berendsen Par Bjelkmar</scalar>
15 <scalar dataType="xsd:string" dictRef="gm:unparsed">Aldert van Buuren Rudi van Drunen Anton Feenstra Sebastian Fritsch</scalar>
16 <scalar dataType="xsd:string" dictRef="gm:unparsed">Gerrit Groenhof Christoph Junghans Peter Kasson Carsten Kutzner</scalar>
17 <scalar dataType="xsd:string" dictRef="gm:unparsed">Per Larsson Justin A. Lemkul Magnus Lundborg Pieter Meulenhoff</scalar>
18 <scalar dataType="xsd:string" dictRef="gm:unparsed">Erik Marklund Teemu Murtola Szilard Pall Sander Pronk</scalar>
19 <scalar dataType="xsd:string" dictRef="gm:unparsed">Roland Schulz Alexey Shvetsov Michael Shirts Alfons Sijbers</scalar>
20 <scalar dataType="xsd:string" dictRef="gm:unparsed">Peter Tieleman Christian Wennberg Maarten Wolf</scalar>
21 <scalar dataType="xsd:string" dictRef="gm:unparsed">and the project leaders:</scalar>
22 <scalar dataType="xsd:string" dictRef="gm:unparsed">Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel</scalar>
23 </module>
24 <module cmlx:templateRef="legal">
25 <scalar dataType="xsd:string" dictRef="gm:legal">Copyright (c) 1991-2000, University of Groningen, The Netherlands.</scalar>
26 <scalar dataType="xsd:string" dictRef="gm:legal">Copyright (c) 2001-2014, The GROMACS development team at</scalar>
27 <scalar dataType="xsd:string" dictRef="gm:legal">Uppsala University, Stockholm University and</scalar>
28 <scalar dataType="xsd:string" dictRef="gm:legal">the Royal Institute of Technology, Sweden.</scalar>
29 <scalar dataType="xsd:string" dictRef="gm:legal">check out http://www.gromacs.org for more information.</scalar>
30 </module>
31 </module>
32 </comment>
Template definition
1<templateList> <template id="rundate" pattern="\s*Log\sfile\sopened\son.*" endPattern="\s*.*GROMACS.*" endOffset="0"> <record>\s*Log\sfile\sopened\son{X,cc:runDate}</record> <record>\s*Host:{A,cc:hostName}.*number\sof\sranks:{I,gm:numRanks}</record> <transform process="createDate" xpath=".//cml:scalar[@dictRef='cc:runDate']" format="E MMM d HH:mm:ss yyyy" /> <transform process="createDate" xpath=".//cml:scalar[@dictRef='cc:runDate']" format="E MMM dd HH:mm:ss yyyy" /> <transform process="pullup" xpath=".//cml:list/cml:list/cml:scalar" />
2 </template> <template id="program" pattern="\s*GROMACS.*VERSION.*" endPattern=".*" endOffset="0"> <record>{A,cc:program}:.*,\s*VERSION{A,cc:programVersion}</record> <transform process="pullup" xpath=".//cml:scalar" />
3 </template> <template id="program" pattern=".*GROMACS\s*-\s*gmx.*" endPattern=".*" endOffset="0"> <record>.*\s+{A,cc:program}\s+-.*,\s*(?:VERSION)?\s+{A,cc:programVersion}.*</record> <transform process="pullup" xpath=".//cml:scalar" />
4 </template> <template id="authors" name="AUTHORS" pattern="\s*GROMACS\sis\swritten\sby.*" endPattern="\s*" repeat="*"> <record repeat="*">{X,gm:unparsed}</record>
5 </template> <template id="legal" pattern="\s*Copyright.*" endPattern=".*$\s*" endOffset="1"> <record repeat="*">{X,gm:legal}</record>
6 </template>
7 </templateList>
8<transform process="pullup" xpath=".//cml:scalar" />
9<transform process="delete" xpath=".//cml:list[count(*)=0]" />
10<transform process="delete" xpath=".//cml:list[count(*)=0]" />