LPLANE - Revision history

Karsai: /* Related Tags and Sections */

2022-04-08T14:39:35Z

Related Tags and Sections

← Older revision		Revision as of 14:39, 8 April 2022
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	</pre>		</pre>

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|NPAR}},		{{TAG\|NPAR}},
	{{TAG\|NCORE}},		{{TAG\|NCORE}},
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	----		----

	[[Category:INCAR]][[Category:Performance]][[Category:parallelization]]		[[Category:INCAR tag]][[Category:Performance]][[Category:parallelization]]

Karsai at 17:48, 11 March 2019

2019-03-11T17:48:16Z

← Older revision		Revision as of 17:48, 11 March 2019
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	{{sc\|LPLANE\|Examples\|Examples that use this tag}}		{{sc\|LPLANE\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Performance]][[Category:parallelization]]		[[Category:INCAR]][[Category:Performance]][[Category:parallelization]]

Karsai: /* Related Tags and Sections */

2019-03-11T17:46:28Z

Related Tags and Sections

← Older revision		Revision as of 17:46, 11 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:parallelization]]		[[Category:INCAR]][[Category:Performance]][[Category:parallelization]]

Karsai at 10:34, 20 March 2017

2017-03-20T10:34:48Z

← Older revision		Revision as of 10:34, 20 March 2017
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	{{TAG\|LSCAAWARE}}		{{TAG\|LSCAAWARE}}

			{{sc\|LPLANE\|Examples\|Examples that use this tag}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:parallelization]]		[[Category:INCAR]][[Category:parallelization]]

Vaspmaster at 15:53, 5 April 2014

2014-04-05T15:53:51Z

← Older revision		Revision as of 15:53, 5 April 2014
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	{{TAG\|LSCALU}},		{{TAG\|LSCALU}},
	{{TAG\|NSIM}},		{{TAG\|NSIM}},
	{{TAG\|KPAR}}		{{TAG\|KPAR}},
			{{TAG\|LSCALAPACK}},
			{{TAG\|LSCAAWARE}}

	----		----

Vaspmaster at 12:25, 4 April 2014

2014-04-04T12:25:29Z

← Older revision		Revision as of 12:25, 4 April 2014
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	NSIM = 4		NSIM = 4
	</pre>		</pre>
	:If very many nodes are used, it might be necessary to set {{TAG\|LPLANE}}=.FALSE., but usually this offers very little advantage. For long (e.g. molecular dynamics ~~runs~~), we recommend to optimize {{TAG\|NPAR}} by trying short runs for different settings.		:If very many nodes are used, it might be necessary to set {{TAG\|LPLANE}}=.FALSE., but usually this offers very little advantage. For long runs (''e.g.'' molecular dynamics), we recommend to optimize {{TAG\|NPAR}} by trying short runs for different settings.

	*LINUX cluster linked by 1 Gbit Ethernet, and LINUX clusters with single cores:		*LINUX cluster linked by 1 Gbit Ethernet, and LINUX clusters with single cores:

Vaspmaster at 10:23, 4 April 2014

2014-04-04T10:23:03Z

← Older revision		Revision as of 10:23, 4 April 2014
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	The <tt>max/ min</tt> values should not differ too much, otherwise the load balancing might worsen as well.		The <tt>max/ min</tt> values should not differ too much, otherwise the load balancing might worsen as well.

			The optimum settings for {{TAG\|NPAR}} and {{TAG\|LPLANE}} depend strongly on the type of machine you are using.
			Some recommended setups:

			*LINUX cluster linked by Infiniband, modern multicore machines:
			:On a LINUX cluster with multicore machines linked by a fast network we recommend to set
			<pre>
			LPLANE = .TRUE.
			NCORE = number of cores per node (e.g. 4 or 8)
			LSCALU = .FALSE.
			NSIM = 4
			</pre>
			:If very many nodes are used, it might be necessary to set {{TAG\|LPLANE}}=.FALSE., but usually this offers very little advantage. For long (e.g. molecular dynamics runs), we recommend to optimize {{TAG\|NPAR}} by trying short runs for different settings.

			*LINUX cluster linked by 1 Gbit Ethernet, and LINUX clusters with single cores:
			:On a LINUX cluster linked by a relatively slow network, {{TAG\|LPLANE}} must be set to .TRUE., and the {{TAG\|NPAR}} flag should be equal to the number of cores:
			<pre>
			LPLANE = .TRUE.
			NCORE = 1
			LSCALU = .FALSE.
			NSIM = 4
			</pre>
			:Mind that you need at least a 100 Mbit full duplex network, with a fast switch offering at least 2 Gbit switch capacity to find usefull speedups. Multi-core machines should be always linked by an Infiniband, since Gbit is too slow for multi-core machines.

			*Massively parallel machines (Cray, Blue Gene):
			:On many massively parallel machines one is forced to use a huge number of cores. In this case load balancing problems and problems with the communication bandwidth are likely to be experienced. In addition the local memory is fairly small on some massively parallel machines; too small keep the real space projectors in the cache with any setting. Therefore, we recommend to set {{TAG\|NPAR}} on these machines to √''# of cores'' (explicit timing can be helpful to find the optimum value). The use of {{TAG\|LPLANE}}=.TRUE. is only recommended if the number of nodes is significantly smaller than {{TAG\|NGX}}, {{TAG\|NGY}} and {{TAG\|NGZ}}.

			:In summary, the following setting is recommended
			<pre>
			LPLANE = .FALSE.
			NPAR = sqrt(number of cores)
			NSIM = 1
			</pre>

	== Related Tags and Sections ==		== Related Tags and Sections ==

Vaspmaster at 10:17, 4 April 2014

2014-04-04T10:17:17Z

← Older revision		Revision as of 10:17, 4 April 2014
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	max/ min on nodes :		max/ min on nodes :

	The max/ min values should not differ too much, otherwise the load balancing might worsen as well.		The <tt>max/ min</tt> values should not differ too much, otherwise the load balancing might worsen as well.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Vaspmaster at 10:16, 4 April 2014

2014-04-04T10:16:32Z

@@ Line 4: / Line 4: @@
 ----
 == Related Tags and Sections ==
 {{TAG|NPAR}},

Vaspmaster at 10:05, 4 April 2014

2014-04-04T10:05:27Z

← Older revision		Revision as of 10:05, 4 April 2014
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	{{TAGDEF\|LPLANE\|[logical]\|.TRUE.}}		{{TAGDEF\|LPLANE\|[logical]\|.TRUE.}}

	Description: {{TAG\|LPLANE}}.		Description: {{TAG\|LPLANE}} switches on the plane-wise data distribution in real space.

	----		----

← Older revision		Revision as of 15:53, 5 April 2014
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	{{TAG\|LSCALU}},		{{TAG\|LSCALU}},
	{{TAG\|NSIM}},		{{TAG\|NSIM}},
	{{TAG\|KPAR}}		{{TAG\|KPAR}},
			{{TAG\|LSCALAPACK}},
			{{TAG\|LSCAAWARE}}

	----		----