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Compiling NWChem
Edoardo Aprà edited this page 2025-11-06 15:31:27 -08:00

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92 Commits

Author SHA1 Message Date
Edoardo Aprà
2ccbc92656
 		Update NWChem release version to 7.3.1 2025-11-06 15:31:27 -08:00
Edoardo Aprà
3a85a1782e
 		Update NWChem version in compilation instructions 2025-10-25 19:32:43 -07:00
edoapra
44f8ce66e6
 		remove obsolete material 2025-06-18 15:13:18 -07:00
edoapra
0d94b3454b
 		remove obsolete text 2025-06-18 14:02:28 -07:00
Edoardo Aprà
42a2858eb2
 		Update Compiling-NWChem.md 2025-03-17 11:38:10 -07:00
Edoardo Aprà
00df3296e7
 		Update Compiling-NWChem.md 2025-03-04 10:08:04 -08:00
Edoardo Aprà
809c213183
 		Update Compiling-NWChem.md 2025-03-04 10:05:44 -08:00
Edoardo Aprà
281042ec34
 		7.2.2 2023-11-04 10:07:10 -07:00
Edoardo Aprà
8d85dcc784
 		remove obselete bits 2023-06-29 14:02:08 -07:00
Edoardo Aprà
5f8ec7ded1
 		memory 2023-06-29 13:55:33 -07:00
Edoardo Aprà
74d664f231
 		colored text 2023-06-21 10:38:18 -07:00
edoapra
2fbaef7e45
 		memory 2023-06-07 12:48:59 -07:00
Edoardo Aprà
f73b2a2321
 		getmem 2023-06-07 10:30:20 -07:00
Edoardo Aprà
805555599a
 		BUILD_OPENBLAS 2023-06-07 10:16:40 -07:00
edoapra
2f9ef8dc08
 		formatting 2022-12-22 12:30:57 -08:00
edoapra
3082fbc878
 		links issues from https://validator.w3.org/checklink 2022-12-09 16:10:21 -08:00
edoapra
85ff42d604
 		use html <code> 2022-12-06 15:05:01 -08:00
edoapra
41a44a5c7e
 		use html <code> 2022-12-06 14:51:25 -08:00
edoapra
111e33920f
 		updates 2022-12-06 14:38:56 -08:00
edoapra
eb0c486227
 		typo 2022-12-06 14:27:28 -08:00
Edoardo Aprà
0312a6d98c
 		typo 2022-12-06 14:03:04 -08:00
Edoardo Aprà
0db4f5aecd
 		update on MPI env 2022-12-06 13:55:12 -08:00
Edoardo Aprà
7426bfcb38
 		MPI crazyness 2022-12-05 17:40:45 -08:00
Edoardo Aprà
b7f8e60c99
 		formatting 2022-11-09 18:12:44 -08:00
Edoardo Aprà
cf7966766b
 		Update Compiling-NWChem.md 
more details about getmem.nwchem https://github.com/nwchemgit/nwchem/issues/623
 2022-07-20 09:20:43 -07:00
Edoardo Aprà
2224a89ea6
 		getmem 2022-03-09 19:25:03 -08:00
Edoardo Aprà
44198a87ac
 		formatting 2022-03-09 19:22:27 -08:00
Edoardo Aprà
2b0694ed28
 		formatting 2022-03-09 18:49:12 -08:00
Edoardo Aprà
89c86be443
 		MKL Line advisor 2022-03-09 18:41:45 -08:00
edoapra
f6a02376d8
 		sections 2022-03-03 10:31:23 -08:00
Edoardo Aprà
f939e4c0b9
 		formatting 2022-03-03 10:26:32 -08:00
edoapra
847d7192d9
 		links 2022-03-01 18:59:13 -08:00
Edoardo Aprà
586bf4e82e build_ for scalapack and openblas 
Former-commit-id: 84de96a42dd625dec760ce039ae44679d8a9fd42
 2021-05-19 10:51:55 -07:00
Edoardo Aprà
d325c3508e formatting 
Former-commit-id: cac627ee2637fcfff1fc8b36664fb178da52b478
 2021-05-19 10:46:39 -07:00
Edoardo Aprà
c335d2e2c9 formatting 
Former-commit-id: 8d852ede22d832d6748a4ecc5ee0f6b3c3fb0d2d
 2021-01-31 13:42:00 -08:00
edoapra
bb0dee538b formatting 
Former-commit-id: 02afe417742912e72d77993562f678e1bad2bdbf
 2021-01-27 17:57:49 -08:00
edoapra
d227780bd9 cleanup 
Former-commit-id: bb81fea0721cff7dc3e26a5eaafbd9f6f9bce4be
 2021-01-27 14:25:44 -08:00
edoapra
71f65f3916 fixes 
Former-commit-id: 5dcf69caad629fb2b7a98ceaa7bfbb78ffbf8575
 2020-11-18 22:42:16 -08:00
edoapra
b415908f1e link 
Former-commit-id: 98ff0765bb5f5feeaf32aa79d204722edde49da8
 2020-11-12 21:19:47 -08:00
edoapra
e8dc2b1b3c subsection 
Former-commit-id: f48c82ed3a6d41c00fb23a6a12b9e65ddb8c890a
 2020-10-06 15:27:35 -07:00
edoapra
bd1d264280 formatting 
Former-commit-id: 3a1467fdb266e45d2ea848b191088326bbbbdfc5
 2020-08-10 19:06:55 -07:00
edoapra
04dafb7636 cleanup 
Former-commit-id: 155afe1543d34901d0e4a85da62785a0a3aed14e
 2020-08-10 18:24:24 -07:00
edoapra
8fe54406de new website 
Former-commit-id: 3f9cc82b45a5c4dc92c2214debc46b7fee0e42be
 2020-08-09 20:04:35 -07:00
Edoardo Aprà
7178d220fa formatting 
Former-commit-id: fccd9017cb392c0c448bf475597107c5d0fe9f1f
 2020-07-09 10:17:45 -07:00
Edoardo Aprà
fdfedefeaa mpif90 
Former-commit-id: 9eacf2ff97d271510155821f8b6f13cba45b1d98
 2020-07-09 10:14:49 -07:00
edoapra
d36db2af90 update 2020-06-16 19:44:27 -07:00
edoapra
af863d8f78 formatting 2020-06-16 17:45:00 -07:00
Edoardo Apra
36e4bd1b59 cleanup 2020-06-03 23:47:05 -07:00
Shiv Upadhyay
ac68d1b36f Add note about CCSDTQ flag 2020-05-13 11:56:45 -04:00
Edoardo Aprà
0e2d5fb069 Updated Compiling NWChem (markdown) 2020-04-03 09:31:45 -07:00