�ݺ�ߣshows by User: jmskelton

�ݺ�ߣshows by User: jmskelton / http://www.slideshare.net/images/logo.gif �ݺ�ߣshows by User: jmskelton / Fri, 03 Feb 2017 16:01:33 GMT �ݺ�ߣShare feed for �ݺ�ߣshows by User: jmskelton vasp-gpu on Balena: Usage and Some Benchmarks /slideshow/vaspgpu-on-balena-usage-and-some-benchmarks/71730582 vasp-gpu-balenausage-somebenchmarks-170203160133
A presentation looking at the parallelisation of the Vienna ab initio Simulation Package (VASP) code, how to optimise performance and scaling by tuning the input control tags, and some initial experience with the NVIDIA GPU (CUDA) port of the code, including compiling, running jobs, and some initial benchmark results.]]>
A presentation looking at the parallelisation of the Vienna ab initio Simulation Package (VASP) code, how to optimise performance and scaling by tuning the input control tags, and some initial experience with the NVIDIA GPU (CUDA) port of the code, including compiling, running jobs, and some initial benchmark results.]]> Fri, 03 Feb 2017 16:01:33 GMT /slideshow/vaspgpu-on-balena-usage-and-some-benchmarks/71730582 jmskelton@slideshare.net(jmskelton) vasp-gpu on Balena: Usage and Some Benchmarks jmskelton A presentation looking at the parallelisation of the Vienna ab initio Simulation Package (VASP) code, how to optimise performance and scaling by tuning the input control tags, and some initial experience with the NVIDIA GPU (CUDA) port of the code, including compiling, running jobs, and some initial benchmark results. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/vasp-gpu-balenausage-somebenchmarks-170203160133-thumbnail.jpg?width=120&height=120&fit=bounds" /> A presentation looking at the parallelisation of the Vienna ab initio Simulation Package (VASP) code, how to optimise performance and scaling by tuning the input control tags, and some initial experience with the NVIDIA GPU (CUDA) port of the code, including compiling, running jobs, and some initial benchmark results.

vasp-gpu on Balena: Usage and Some Benchmarks from Jonathan Skelton

]]> 3082 5 https://cdn.slidesharecdn.com/ss_thumbnails/vasp-gpu-balenausage-somebenchmarks-170203160133-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 Wannier90: Band Structures, Tips and Tricks /slideshow/wannier90-band-structures-tips-and-tricks/67917422 vasp-wannier2016-v2-161031115814
An updated tutorial on using Wannier90 with the VASP code for electronic-structure calculations. Includes tips on how to build VASP with Wannier90 support, how to use the VASP-to-Wannier90 interface, and a worked example of calculating the electronic band structure and density of states of SnS2 using the PBE and HSE06 functionals and the GW routines.]]>
An updated tutorial on using Wannier90 with the VASP code for electronic-structure calculations. Includes tips on how to build VASP with Wannier90 support, how to use the VASP-to-Wannier90 interface, and a worked example of calculating the electronic band structure and density of states of SnS2 using the PBE and HSE06 functionals and the GW routines.]]> Mon, 31 Oct 2016 11:58:13 GMT /slideshow/wannier90-band-structures-tips-and-tricks/67917422 jmskelton@slideshare.net(jmskelton) Wannier90: Band Structures, Tips and Tricks jmskelton An updated tutorial on using Wannier90 with the VASP code for electronic-structure calculations. Includes tips on how to build VASP with Wannier90 support, how to use the VASP-to-Wannier90 interface, and a worked example of calculating the electronic band structure and density of states of SnS2 using the PBE and HSE06 functionals and the GW routines. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/vasp-wannier2016-v2-161031115814-thumbnail.jpg?width=120&height=120&fit=bounds" /> An updated tutorial on using Wannier90 with the VASP code for electronic-structure calculations. Includes tips on how to build VASP with Wannier90 support, how to use the VASP-to-Wannier90 interface, and a worked example of calculating the electronic band structure and density of states of SnS2 using the PBE and HSE06 functionals and the GW routines.

Wannier90: Band Structures, Tips and Tricks from Jonathan Skelton

]]> 11174 6 https://cdn.slidesharecdn.com/ss_thumbnails/vasp-wannier2016-v2-161031115814-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 VASP And Wannier90: A Quick Tutorial /slideshow/vasp-and-wannier90-a-quick-tutorial/58280546 vaspwannier2016-160215153105
A basic tutorial on using Wannier90 with the VASP code. Includes a brief overview of Wannier functions, tips on how to build VASP with Wannier90 support, and how to use the VASP/Wannier90 interface to compute an HSE06 band structure and perform some other Wannier90 post processing.]]>
A basic tutorial on using Wannier90 with the VASP code. Includes a brief overview of Wannier functions, tips on how to build VASP with Wannier90 support, and how to use the VASP/Wannier90 interface to compute an HSE06 band structure and perform some other Wannier90 post processing.]]> Mon, 15 Feb 2016 15:31:05 GMT /slideshow/vasp-and-wannier90-a-quick-tutorial/58280546 jmskelton@slideshare.net(jmskelton) VASP And Wannier90: A Quick Tutorial jmskelton A basic tutorial on using Wannier90 with the VASP code. Includes a brief overview of Wannier functions, tips on how to build VASP with Wannier90 support, and how to use the VASP/Wannier90 interface to compute an HSE06 band structure and perform some other Wannier90 post processing. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/vaspwannier2016-160215153105-thumbnail.jpg?width=120&height=120&fit=bounds" /> A basic tutorial on using Wannier90 with the VASP code. Includes a brief overview of Wannier functions, tips on how to build VASP with Wannier90 support, and how to use the VASP/Wannier90 interface to compute an HSE06 band structure and perform some other Wannier90 post processing.

VASP And Wannier90: A Quick Tutorial from Jonathan Skelton

]]> 34697 25 https://cdn.slidesharecdn.com/ss_thumbnails/vaspwannier2016-160215153105-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 VASP: Some Accumulated Wisdom /slideshow/vasp-some-accumulated-wisdom/57788756 vaspaccumulatedwisdom2015-160202160222
Some "accumulated wisdom" from several years of using the Vienna ab initio Simulation Package (VASP) code for computational modelling. Includes tips on convergence and parallelisation.]]>
Some "accumulated wisdom" from several years of using the Vienna ab initio Simulation Package (VASP) code for computational modelling. Includes tips on convergence and parallelisation.]]> Tue, 02 Feb 2016 16:02:21 GMT /slideshow/vasp-some-accumulated-wisdom/57788756 jmskelton@slideshare.net(jmskelton) VASP: Some Accumulated Wisdom jmskelton Some "accumulated wisdom" from several years of using the Vienna ab initio Simulation Package (VASP) code for computational modelling. Includes tips on convergence and parallelisation. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/vaspaccumulatedwisdom2015-160202160222-thumbnail.jpg?width=120&height=120&fit=bounds" /> Some "accumulated wisdom" from several years of using the Vienna ab initio Simulation Package (VASP) code for computational modelling. Includes tips on convergence and parallelisation.

VASP: Some Accumulated Wisdom from Jonathan Skelton

]]> 10413 12 https://cdn.slidesharecdn.com/ss_thumbnails/vaspaccumulatedwisdom2015-160202160222-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 Phonons & Phonopy: Pro Tips (2015) /slideshow/phonons-phonopy-pro-tips-2015/57788264 phonons-phonopyprotips2015-v2-160202155228
An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting (2014 presentation updated for 2015).]]>
An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting (2014 presentation updated for 2015).]]> Tue, 02 Feb 2016 15:52:28 GMT /slideshow/phonons-phonopy-pro-tips-2015/57788264 jmskelton@slideshare.net(jmskelton) Phonons & Phonopy: Pro Tips (2015) jmskelton An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting (2014 presentation updated for 2015). <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/phonons-phonopyprotips2015-v2-160202155228-thumbnail.jpg?width=120&height=120&fit=bounds" /> An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting (2014 presentation updated for 2015).

Phonons & Phonopy: Pro Tips (2015) from Jonathan Skelton

]]> 6343 9 https://cdn.slidesharecdn.com/ss_thumbnails/phonons-phonopyprotips2015-v2-160202155228-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 Phonons & Phonopy: Pro Tips (2014) /slideshow/phonons-phonopy-pro-tips-2014/57787846 phonons-phonopyprotips2014-v1-160202154306
An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting.]]>
An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting.]]> Tue, 02 Feb 2016 15:43:06 GMT /slideshow/phonons-phonopy-pro-tips-2014/57787846 jmskelton@slideshare.net(jmskelton) Phonons & Phonopy: Pro Tips (2014) jmskelton An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting. <img style="border:1px solid #C3E6D8;float:right;" alt="" src="https://cdn.slidesharecdn.com/ss_thumbnails/phonons-phonopyprotips2014-v1-160202154306-thumbnail.jpg?width=120&height=120&fit=bounds" /> An overview of the Phonopy (and Phono3py) lattice-dynamics codes, covering features, examples, applications and troubleshooting.

Phonons & Phonopy: Pro Tips (2014) from Jonathan Skelton

]]> 6009 9 https://cdn.slidesharecdn.com/ss_thumbnails/phonons-phonopyprotips2014-v1-160202154306-thumbnail.jpg?width=120&height=120&fit=bounds presentation Black http://activitystrea.ms/schema/1.0/post

http://activitystrea.ms/schema/1.0/posted

0 https://public.slidesharecdn.com/v2/images/profile-picture.png https://cdn.slidesharecdn.com/ss_thumbnails/vasp-gpu-balenausage-somebenchmarks-170203160133-thumbnail.jpg?width=320&height=320&fit=bounds slideshow/vaspgpu-on-balena-usage-and-some-benchmarks/71730582 vasp-gpu on Balena: Us... https://cdn.slidesharecdn.com/ss_thumbnails/vasp-wannier2016-v2-161031115814-thumbnail.jpg?width=320&height=320&fit=bounds slideshow/wannier90-band-structures-tips-and-tricks/67917422 Wannier90: Band Struct... https://cdn.slidesharecdn.com/ss_thumbnails/vaspwannier2016-160215153105-thumbnail.jpg?width=320&height=320&fit=bounds slideshow/vasp-and-wannier90-a-quick-tutorial/58280546 VASP And Wannier90: A ...