https://snicdocs.nsc.liu.se/w/api.php?action=feedcontributions&user=Peter+Larsson+%28PDC%29&feedformat=atomSNIC Documentation - User contributions [en]2024-03-28T11:05:26ZUser contributionsMediaWiki 1.31.10https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=6221User:Peter Larsson (PDC)2016-02-23T09:12:30Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=20<br />
|snic ae financing=0<br />
|other ae financing=<br />
|financing=SeRC/SNIC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC;<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
* '''Note: Peter effectively retired as application expert since 2015. He is now partner manager at NSC, where he develops NSC’s external collaborations with non-academic customers, such as the Swedish Met Office (SMHI) and Saab.'''<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
* C++/Python programming<br />
<br />
== Blog ==<br />
<br />
I publish some of my findings from benchmarking and testing on my blog at NSC:<br />
<br />
[http://www.nsc.liu.se/~pla http://www.nsc.liu.se/~pla]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=6111User:Peter Larsson (PDC)2015-05-21T12:18:32Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=20<br />
|snic ae financing=20<br />
|other ae financing=<br />
|financing=SeRC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
* C++/Python programming<br />
* Floating-point numerics<br />
* Mathematica<br />
<br />
== Blog ==<br />
<br />
I publish some of my findings from benchmarking and testing on my blog at NSC:<br />
<br />
[http://www.nsc.liu.se/~pla http://www.nsc.liu.se/~pla]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=VASP_best_practices_(LiU_February_2015)&diff=6014VASP best practices (LiU February 2015)2015-01-27T12:55:54Z<p>Peter Larsson (PDC): Created page with "{{training event info |description=Seminar on running VASP efficiently at Triolith and Beskow (the new Cray XC-40 at PDC) |fields=Computational materials science |event type=Semi..."</p>
<hr />
<div>{{training event info<br />
|description=Seminar on running VASP efficiently at Triolith and Beskow (the new Cray XC-40 at PDC)<br />
|fields=Computational materials science<br />
|event type=Seminar<br />
|location=Linköping<br />
|start date=2015-02-06<br />
|end date=2015-02-06<br />
}}<br />
<br />
== Seminar overview ==<br />
{| class="wikitable"<br />
|+ Schedule<br />
! style="text-align:left;" colspan="2" | Thursday, January 15<br />
|-<br />
|09.15-10.00<br />
|Introduction to NSC and general aspects of running DFT codes on supercomputers.<br />
|-<br />
|10.00-10.30<br />
|Coffee break<br />
|-<br />
|10.30-11.00<br />
|Influential VASP settings<br />
|-<br />
|11.15-12.00<br />
|VASP in parallel - special focus on PDC's new Cray system "Beskow"<br />
|}<br />
<br />
Session 1: <br />
# Recent developments at NSC. New clusters, user documentation.<br />
# Parallel efficiency and running economically <br />
# Out of memory issues<br />
<br />
Session 2:<br />
# NCORE/NPAR - band parallelization<br />
# KPAR - k-point parallelization<br />
# NSIM etc.<br />
<br />
Session 3:<br />
# Running big VASP calculations in parallel<br />
# Case studies from Beskow and Triolith<br />
# Discussions/Q&A<br />
<br />
Much of the information given is available in written form on Peter Larsson's [http://www.nsc.liu.se/~pla web page] at NSC.<br />
<br />
== Trainer ==<br />
The seminar is given by [[User:Peter Larsson (NSC)|Peter Larsson]] from [[NSC]].<br />
<br />
== Venue ==<br />
Lecture room Planck in the Physics Building.</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=VASP_best_practices_(NSC-UPPMAX_January_2015)&diff=6002VASP best practices (NSC-UPPMAX January 2015)2014-11-28T10:05:36Z<p>Peter Larsson (PDC): /* Seminar overview */</p>
<hr />
<div>{{training event info<br />
|description=Seminar on running VASP efficiently at Triolith and Beskow (the new Cray XC-40 at PDC)<br />
|fields=Computational materials science<br />
|event type=Seminar<br />
|location=Uppsala<br />
|start date=2015-01-15<br />
|end date=2015-01-15<br />
}}<br />
<br />
== Seminar overview ==<br />
{| class="wikitable"<br />
|+ Schedule<br />
! style="text-align:left;" colspan="2" | Thursday, January 15<br />
|-<br />
|13.15-14.00<br />
|General performance aspects of DFT codes<br />
|-<br />
|14.15-15.00<br />
|Influential VASP settings<br />
|-<br />
|15.00-15.30<br />
|Coffee break<br />
|-<br />
|15.30-16.30<br />
|VASP in parallel - special focus on PDC's new Cray system<br />
|-<br />
|16.30-17.00<br />
|Discussions/Q&A<br />
|}<br />
<br />
Lecture 1: <br />
# Parallel efficiency and running economically <br />
# Out of memory <br />
# Typical bottlenecks for DFT codes and what it means when choosing hardware<br />
<br />
Lecture 2: NPAR, NSIM, KPAR etc<br />
<br />
Lecture 3: Running big VASP calculations in parallel, some case studies from Beskow and Triolith<br />
<br />
== Trainer ==<br />
The seminar is given by [[User:Peter Larsson (NSC)|Peter Larsson]] from [[NSC]]<br />
<br />
== Venue ==<br />
Lecture room Å80101 at the Ångström Laboratory</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=5134User:Peter Larsson (PDC)2013-04-24T13:11:46Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SeRC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
* C++/Python programming<br />
* Floating-point numerics<br />
* Mathematica<br />
<br />
== Blog ==<br />
<br />
I publish some of my findings from benchmarking and testing on my blog at NSC:<br />
<br />
[http://www.nsc.liu.se/~pla http://www.nsc.liu.se/~pla]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=5133User:Peter Larsson (PDC)2013-04-24T13:09:47Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SeRC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
* C++<br />
* Python<br />
* Mathematica<br />
<br />
== Blog ==<br />
<br />
I published some of my findings from benchmarking on my blog at NSC:<br />
<br />
[http://www.nsc.liu.se/~pla http://www.nsc.liu.se/~pla]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Rossen_Apostolov_(PDC)&diff=5132User:Rossen Apostolov (PDC)2013-04-24T13:06:26Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Rossen<br />
|last name=Apostolov<br />
|centre=PDC<br />
|fte=50<br />
|snic ae financing=50<br />
|other ae financing=<br />
|financing=SNIC<br />
|fields=Molecular dynamics<br />
|other activities=Technical Director for ScalaLife EU Project (50% financed)<br />
|image=Rossen.jpg<br />
|office=PDC, KTH;Teknikringen 14, 4F;SE-100 44 STOCKHOLM;SWEDEN<br />
|phone=<br />
}}<br />
<br />
== Quick facts ==<br />
* Working at PDC since 2010 <br />
* Ph.D. 2008 in Computational Biophysics<br />
* Working on Gromacs development<br />
* Involved in [http://www.scalalife.eu/ ScalaLife]<br />
<br />
== Expertise ==<br />
* [[expertise::Gromacs]]<br />
* [[expertise::GPGPU computing]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Rossen_Apostolov_(PDC)&diff=5131User:Rossen Apostolov (PDC)2013-04-24T13:05:58Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Rossen<br />
|last name=Apostolov<br />
|centre=PDC<br />
|fte=50<br />
|snic ae financing=50<br />
|other ae financing=<br />
|financing=SNIC<br />
|fields=Molecular dynamics<br />
|other activities=Technical Director for ScalaLife EU Project<br />
|image=Rossen.jpg<br />
|office=PDC, KTH;Teknikringen 14, 4F;SE-100 44 STOCKHOLM;SWEDEN<br />
|phone=<br />
}}<br />
<br />
== Quick facts ==<br />
* Working at PDC since 2010 <br />
* Ph.D. 2008 in Computational Biophysics<br />
* Working on Gromacs development<br />
* Involved in [http://www.scalalife.eu/ ScalaLife]<br />
<br />
== Expertise ==<br />
* [[expertise::Gromacs]]<br />
* [[expertise::GPGPU computing]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=5130User:Peter Larsson (PDC)2013-04-24T13:02:33Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SeRC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
== Blog ==<br />
<br />
I published some of my benchmark and testing findings here:<br />
<br />
[http://www.nsc.liu.se/~pla blog]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=5129User:Peter Larsson (PDC)2013-04-24T13:01:38Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SeRC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
[http://www.nsc.liu.se/~pla blog]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=Triolith&diff=4964Triolith2013-04-22T13:32:59Z<p>Peter Larsson (PDC): Created page with "{{resource info |description=Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree |production=yes |commissioning date=July 2012 |decommissioning date=July 2016 |re..."</p>
<hr />
<div>{{resource info<br />
|description=Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree<br />
|production=yes<br />
|commissioning date=July 2012<br />
|decommissioning date=July 2016<br />
|resource type=compute<br />
|centre=NSC<br />
}}<br />
<br />
== Available software ==<br />
{{list software at resource}}<br />
<br />
More information about available software on Triolith will be published soon.<br />
<br />
== Links ==<br />
* [http://www.nsc.liu.se/systems/triolith/ Triolith User Guide at NSC]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=4963User:Peter Larsson (PDC)2013-04-22T13:18:23Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SNIC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC; Co-supervising SeRC financed PhD student Fan Pan<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=Comparative_study_of_major_ab_initio_software_for_materials_science&diff=4962Comparative study of major ab initio software for materials science2013-04-22T13:13:54Z<p>Peter Larsson (PDC): Created page with "{{project info |description=Comparing major ab initio software for materials science |fields=Computational materials science |financing=SNIC |active=yes |start date=2012-02-01 |e..."</p>
<hr />
<div>{{project info<br />
|description=Comparing major ab initio software for materials science<br />
|fields=Computational materials science<br />
|financing=SNIC<br />
|active=yes<br />
|start date=2012-02-01<br />
|end date= 2014-02-01<br />
}}<br />
<br />
This project aims to compare the speed, parallel scaling, and usability of several high profile ab initio software packages for materials science, viz. VASP, Quantum Espresso, ABINIT, and GPAW. It was initiated by request of the SeRC electronic structure community. So far, studies of VASP vs ABINIT, and VASP vs Quantum Espresso (still ongoing) have been published on [http://www.nsc.liu.se/~pla Peter Larsson's blog at NSC]. The aim is to also investigate the GPAW finite-difference code.<br />
<br />
== Members ==<br />
{{#ask: [[Category:Person]] [[project::{{PAGENAME}}]]<br />
|?centre<br />
|?role<br />
|?field<br />
}}</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=4961User:Peter Larsson (PDC)2013-04-22T13:04:31Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SNIC<br />
|general activities=Application support;Testing & Quality Assurance;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=4960User:Peter Larsson (PDC)2013-04-22T12:57:04Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SNIC<br />
|general activities=Application support;Benchmarking<br />
|other activities=Development of ab initio workflow tools; Coordinating technical documentation at NSC<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}<br />
<br />
== Projects ==<br />
* [[project::Test suite for VASP]]<br />
* [[project::Comparative study of major ab initio software for materials science]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=3618User:Peter Larsson (PDC)2012-03-07T12:26:48Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|snic ae financing=100<br />
|other ae financing=<br />
|financing=SNIC<br />
|general activities=National application support<br />
|other activities=Development of ab initio workflow tools, benchmarking & profiling.<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<br />
== Expertise ==<br />
* [[expertise::VASP]]<br />
<br />
<!-- == Projects == --><br />
{{#set:project=[[Test suite for VASP]]}}</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=Test_suite_for_VASP&diff=3617Test suite for VASP2012-03-07T12:24:15Z<p>Peter Larsson (PDC): Created page with "{{project info |description=Test suite for VASP |financing=SNIC |active=yes |start date=2011-05-01 |end date= }} VASP is popular software for electronic structure theory calcula..."</p>
<hr />
<div>{{project info<br />
|description=Test suite for VASP<br />
|financing=SNIC<br />
|active=yes<br />
|start date=2011-05-01<br />
|end date=<br />
}}<br />
<br />
VASP is popular software for electronic structure theory calculations. The VASP program is a major workload component (up to 50%) on many SNIC resources. Unfortunately, the VASP program does not come with its own test suite to validate the compilation and installation. This projects intends to develop a high-level test suite for VASP. It currently consists of 17 VASP calculations -- many of which have triggered bugs or problem in previous installations. For more info, head over to the [http://www.nsc.liu.se/~pla/vasptest/ VASP test page at NSC].<br />
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== Members ==<br />
{{#ask: [[Category:Person]] [[project::{{PAGENAME}}]]<br />
|?centre<br />
|?role<br />
|?field<br />
}}</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=2820User:Peter Larsson (PDC)2011-09-28T14:50:00Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|financing=NSC, SNIC<br />
|general activities=National application support<br />
|other activities=Development of ab initio workflow tools, benchmarking & profiling.<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<!-- <br />
* This part is clear text and very much up to you.<br />
* Bullet lists are good <br />
* for the lazy<br />
--><br />
== Expertise ==<br />
* [[expertise::VASP]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=VASP&diff=2408VASP2011-09-13T14:31:36Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{software info<br />
|description=electronic structure calculation<br />
|license=requires license<br />
|fields=Computational materials science; Computational chemistry<br />
}}<br />
The Vienna Ab initio Simulation Package ({{PAGENAME}}) is a program for performing {{#show: {{PAGENAME}} |?description}}. It is commonly used in the physics and materials science communities.<br />
<br />
== Availability ==<br />
{{list resources for software}}<br />
<br />
In general, {{PAGENAME}} can be built from the unmodified source code using Intel's Fortran compiler (for x86-64) or IBM's XL Fortran compiler (for PPC). Use of other compilers may require modification of the source code.<br />
<br />
== License ==<br />
{{show license}}<br />
<br />
{{PAGENAME}} is not a "free" software. A valid {{PAGENAME}} license is required to be allowed to use it, even for centre provided installations. Access to the {{PAGENAME}} source code is included in the license.<br />
<br />
== Experts ==<br />
{{list experts}}<br />
<br />
== Links ==<br />
* [http://cms.mpi.univie.ac.at/marsweb Main web page]. News about bug fixes and general information about VASP.<br />
* [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html VASP online manual]. Find out what all those INCAR keyword means, what their default values are, etc. Reading is '''highly encouraged'''.<br />
* [http://cms.mpi.univie.ac.at/vasp-forum/forum.php The VASP forum]. For discussing "tricks of the VASP-trade", which knobs to turn, why results look strange, etc. To be able to post questions, you have to be registered and you need a VASP license.<br />
* [http://www.pdc.kth.se/resources/software/installed-software/restricted-software/vasp/user-information Instructions for using VASP at PDC]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=2395User:Peter Larsson (PDC)2011-09-13T14:19:30Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|fte=100<br />
|financing=SNIC<br />
|general activities=National application support<br />
|other activities=Development of ab initio workflow tools, benchmarking & profiling.<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<!-- <br />
* This part is clear text and very much up to you.<br />
* Bullet lists are good <br />
* for the lazy<br />
--><br />
== Expertise ==<br />
* [[expertise::VASP]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=2392User:Peter Larsson (PDC)2011-09-13T14:12:22Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|other activities=<br />
|image=Pla-110x160.jpg<br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<!-- <br />
* This part is clear text and very much up to you.<br />
* Bullet lists are good <br />
* for the lazy<br />
--><br />
== Expertise ==<br />
* [[expertise::VASP]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=File:Pla-110x160.jpg&diff=2391File:Pla-110x160.jpg2011-09-13T14:11:28Z<p>Peter Larsson (PDC): Picture of Peter Larsson</p>
<hr />
<div>Picture of Peter Larsson</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=User:Peter_Larsson_(PDC)&diff=2226User:Peter Larsson (PDC)2011-09-12T09:08:11Z<p>Peter Larsson (PDC): </p>
<hr />
<div>{{application expert info<br />
|first name=Peter<br />
|last name=Larsson<br />
|centre=NSC<br />
|fields=Computational materials science<br />
|other activities=<br />
<!--|image=name of an uploaded image file--><br />
|office=Room 273, House G; Linköpings universitet; SE-581 83 Linköping <br />
}}<br />
<br />
== Quick facts ==<br />
* PhD in Physics (ab initio calculations) from Uppsala University in 2009.<br />
* Works at NSC since May 2011.<br />
<!-- <br />
* This part is clear text and very much up to you.<br />
* Bullet lists are good <br />
* for the lazy<br />
--><br />
== Expertise ==<br />
* [[expertise::VASP]]</div>Peter Larsson (PDC)https://snicdocs.nsc.liu.se/w/index.php?title=File:Pla-smaller.jpg&diff=2225File:Pla-smaller.jpg2011-09-12T09:05:40Z<p>Peter Larsson (PDC): Photo of Peter Larsson</p>
<hr />
<div>Photo of Peter Larsson</div>Peter Larsson (PDC)