NEEMP:Compilation & Running - Revision history

Francesco at 11:12, 20 June 2016

2016-06-20T11:12:46Z

← Older revision	Revision as of 11:12, 20 June 2016
Line 1:	Line 1:
		<span style="color:#FF0000"> waiting for instructions on how to retrieve the executable file </span>

		'''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:

		<code>~/neemp/$ ./neemp --help</code>

		Click on the link to see the complete [[NEEMP:Options \| options list]].

		Before proceeding in the description of '''NEEMP''''s modes, here we introduce a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.

		'''NB:''' the ''examples'' directory contains all the files employed in the [[NEEMP:examples]] section. ''src'' directory has not been expanded to improve the readability.
		<nowiki>
		/neemp
		├── examples
		│ ├── charges.chg
		│ ├── ElemBond.par
		│ ├── Element.par
		│ ├── NOTES
		│ ├── set01.sdf
		│ ├── set02.sdf
		│ └── set03.sdf
		├── LICENCE
		├── Makefile
		├── misc
		│ ├── template
		│ ├── valgrind-suppresions
		│ └── web-update.sh
		├── README
		└── src
		</nowiki>

Francesco: Blanked the page

2016-06-20T11:12:20Z

Blanked the page

← Older revision		Revision as of 11:12, 20 June 2016
Line 1:		Line 1:
	~~<span style="color:#FF0000"> waiting for instructions on how to retrieve the executable file </span>~~

	~~'''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:~~

	~~<code>~/neemp/$ ./neemp --help</code>~~

	~~Click on the link to see the complete [[NEEMP:Options \| options list]].~~

	~~Before proceeding in the description of '''NEEMP''''s modes, here we introduce a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.~~

	~~'''NB:''' the ''examples'' directory contains all the files employed in the [[NEEMP:examples]] section. ''src'' directory has not been expanded to improve the readability.~~
	~~<nowiki>~~
	~~/neemp~~
	~~├── examples~~
	~~│ ├── charges.chg~~
	~~│ ├── ElemBond.par~~
	~~│ ├── Element.par~~
	~~│ ├── NOTES~~
	~~│ ├── set01.sdf~~
	~~│ ├── set02.sdf~~
	~~│ └── set03.sdf~~
	~~├── LICENCE~~
	~~├── Makefile~~
	~~├── misc~~
	~~│ ├── template~~
	~~│ ├── valgrind-suppresions~~
	~~│ └── web-update.sh~~
	~~├── README~~
	~~└── src~~
	~~</nowiki>~~

Francesco at 11:00, 20 June 2016

2016-06-20T11:00:07Z

← Older revision		Revision as of 11:00, 20 June 2016
Line 1:		Line 1:
	~~To compile '''NEEMP''', simply run~~ <~~code~~>~~make</code> in its main directory. Compilation requires '''''Intel C/C++ Compiler''' (version 13 and above)'' and '''''Intel Math Kernel Library''' (version 11 and above)'' present in~~ the ~~system. If the required software is not available, NEEMP still can be compiled only using '''''GCC''''' by invoking <code>make neemp-gnu~~</~~code~~>. Note that this version provides worse performance than the default one and it should be used only as a fall-back option. After successful compilation, binary '''''neemp''''' is created in the main directory. '''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:		<span style="color:#FF0000"> waiting for instructions on how to retrieve the executable file </span>

			'''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:

	<code>~/neemp/$ ./neemp --help</code>		<code>~/neemp/$ ./neemp --help</code>

Francesco at 14:09, 13 June 2016

2016-06-13T14:09:00Z

← Older revision		Revision as of 14:09, 13 June 2016
Line 5:		Line 5:
	Click on the link to see the complete [[NEEMP:Options \| options list]].		Click on the link to see the complete [[NEEMP:Options \| options list]].

	Before proceeding in the description of '''NEEMP''''s modes, here we ~~display~~ a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.		Before proceeding in the description of '''NEEMP''''s modes, here we introduce a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.
	'''NB:''' the ''examples'' directory contains all the files employed in the [[examples]] section. ''src'' directory has not been expanded to improve the readability.
			'''NB:''' the ''examples'' directory contains all the files employed in the [[NEEMP:examples]] section. ''src'' directory has not been expanded to improve the readability.
	<nowiki>		<nowiki>
	/neemp		/neemp

Francesco at 13:59, 13 June 2016

2016-06-13T13:59:08Z

← Older revision		Revision as of 13:59, 13 June 2016
Line 6:		Line 6:

	Before proceeding in the description of '''NEEMP''''s modes, here we display a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.		Before proceeding in the description of '''NEEMP''''s modes, here we display a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.
	'''NB:''' the ''examples'' directory contains all the files employed in the [[examples]] section. ''src'' has not been expanded to improve the readability.		'''NB:''' the ''examples'' directory contains all the files employed in the [[examples]] section. ''src'' directory has not been expanded to improve the readability.
	<nowiki>		<nowiki>
	/neemp		/neemp

Francesco at 13:58, 13 June 2016

2016-06-13T13:58:44Z

← Older revision		Revision as of 13:58, 13 June 2016
Line 5:		Line 5:
	Click on the link to see the complete [[NEEMP:Options \| options list]].		Click on the link to see the complete [[NEEMP:Options \| options list]].

	Before proceeding in the description of '''NEEMP''''s modes, here we ~~quickly~~ display a tree representation of '''NEEMP''''s main directory ~~in order~~ to assist the user examples' ~~understanding~~.		Before proceeding in the description of '''NEEMP''''s modes, here we display a tree representation of '''NEEMP''''s main directory to assist the user in the examples understanding.
			'''NB:''' the ''examples'' directory contains all the files employed in the [[examples]] section. ''src'' has not been expanded to improve the readability.
	<nowiki>		<nowiki>
	/neemp		/neemp
Line 23:		Line 24:
	│ └── web-update.sh		│ └── web-update.sh
	├── README		├── README
	└── src ~~[28 entries exceeds filelimit, not opening dir]~~		└── src
	</nowiki>		</nowiki>

Francesco at 13:50, 13 June 2016

2016-06-13T13:50:28Z

← Older revision		Revision as of 13:50, 13 June 2016
Line 6:		Line 6:

	Before proceeding in the description of '''NEEMP''''s modes, here we quickly display a tree representation of '''NEEMP''''s main directory in order to assist the user examples' understanding.		Before proceeding in the description of '''NEEMP''''s modes, here we quickly display a tree representation of '''NEEMP''''s main directory in order to assist the user examples' understanding.
	<nowiki>		<nowiki>
	/neemp		/neemp
	├── examples		├── examples

Francesco at 13:49, 13 June 2016

2016-06-13T13:49:03Z

← Older revision		Revision as of 13:49, 13 June 2016
Line 6:		Line 6:

	Before proceeding in the description of '''NEEMP''''s modes, here we quickly display a tree representation of '''NEEMP''''s main directory in order to assist the user examples' understanding.		Before proceeding in the description of '''NEEMP''''s modes, here we quickly display a tree representation of '''NEEMP''''s main directory in order to assist the user examples' understanding.
			<nowiki>
	/neemp		/neemp
	├── examples		├── examples
Line 24:		Line 24:
	├── README		├── README
	└── src [28 entries exceeds filelimit, not opening dir]		└── src [28 entries exceeds filelimit, not opening dir]
			</nowiki>

Francesco at 13:47, 13 June 2016

2016-06-13T13:47:46Z

← Older revision		Revision as of 13:47, 13 June 2016
Line 4:		Line 4:

	Click on the link to see the complete [[NEEMP:Options \| options list]].		Click on the link to see the complete [[NEEMP:Options \| options list]].

			Before proceeding in the description of '''NEEMP''''s modes, here we quickly display a tree representation of '''NEEMP''''s main directory in order to assist the user examples' understanding.

			/neemp
			├── examples
			│ ├── charges.chg
			│ ├── ElemBond.par
			│ ├── Element.par
			│ ├── NOTES
			│ ├── set01.sdf
			│ ├── set02.sdf
			│ └── set03.sdf
			├── LICENCE
			├── Makefile
			├── misc
			│ ├── template
			│ ├── valgrind-suppresions
			│ └── web-update.sh
			├── README
			└── src [28 entries exceeds filelimit, not opening dir]

Francesco at 12:40, 13 June 2016

2016-06-13T12:40:07Z

← Older revision		Revision as of 12:40, 13 June 2016
Line 1:		Line 1:
	To compile '''NEEMP''', simply run <code>make</code> in its main directory. Compilation requires '''''Intel C/C++ Compiler''' (version 13 and above)'' and '''''Intel Math Kernel Library''' (version 11 and above)'' present in the system. If the required software is not available, NEEMP still can be compiled only using '''''GCC''''' by invoking <code>make neemp-gnu</code>. Note that this version provides worse performance than the default one and it should be used only as a fall-back option. After successful compilation, binary '''''neemp''''' is created in the main directory. '''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:		To compile '''NEEMP''', simply run <code>make</code> in its main directory. Compilation requires '''''Intel C/C++ Compiler''' (version 13 and above)'' and '''''Intel Math Kernel Library''' (version 11 and above)'' present in the system. If the required software is not available, NEEMP still can be compiled only using '''''GCC''''' by invoking <code>make neemp-gnu</code>. Note that this version provides worse performance than the default one and it should be used only as a fall-back option. After successful compilation, binary '''''neemp''''' is created in the main directory. '''NEEMP''' can then be run simply by calling the command <code>./neemp</code>. For instance, to get information about basic usage, use:

	<code>~/neemp/$ ./neemp/ --help</code>		<code>~/neemp/$ ./neemp --help</code>

	Click on the link to see the complete [[NEEMP:Options \| options list]].		Click on the link to see the complete [[NEEMP:Options \| options list]].