Compiling NWChem

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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1004 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3122 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
v6.8.1 error in ddot intel compiler
Started By : Bsantra
0 8 Jul 16th 4:21 pm
Bsantra
6.8 on Windows
Started By : P99
3 925 Jul 12th 10:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
Started By : Hackneyed
0 51 Jun 24th 2:50 pm
Hackneyed
code exiting after 'entering davidson iterations'
Started By : Elena
1 72 Jun 13th 1:29 am
Elena
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
11 426 Mar 27th 9:31 am
Edoapra
Can EA(IP)-EOM-CCSDT(CCSDTQ) methods be exported in NWCHEM?
Started By : Xiongyan21
0 186 Feb 21st 7:56 pm
Xiongyan21
NWCHEM6.8 can run on macOS Mojave 10.14.3
Started By : Xiongyan21
0 190 Feb 14th 4:58 am
Xiongyan21
Compiling NWChem 6.8 on CentOS 7.4 - problems w kernel 3.10.0-693.17.1
Started By : Jwkeller
5 950 Feb 11th 12:13 pm
Jwkeller
Compiling NWChem in Ubuntu - Error MPI
Started By : Diego paschoal
2 276 Feb 5th 8:40 pm
Diego paschoal
Compilation of nwchem-6.8 in Mac OS: Error at "make nwchem_config" step
Started By : Sumanc
1 222 Feb 4th 10:52 am
Edoapra
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
Started By : Hrbuchanan
3 387 Jan 23rd 11:05 am
Edoapra
Instructions to build with OpenMPI are outdated
Started By : Yurivict
3 261 Jan 21st 4:48 pm
Edoapra
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 220 Jan 5th 4:41 pm
Xiongyan21
Issue Comiling NWChem 6.8 on CentOS 7
Started By : Ryan81
1 285 Jan 3rd 1:13 pm
Edoapra
NWPW Missing Library File
Started By : Ryan81
0 265 Nov 27th 10:21 am
Ryan81
trivial date formatting problem in compiling nwchem.F
Started By : Lukeg
1 297 Nov 12th 10:53 am
Edoapra
Problem building NWChem 6.8.1 on Ubuntu 18.0.4 -- Solved
Started By : Dafemec
2 1127 Nov 7th 10:46 am
4rhanes
MPIRUN after Ubuntu install from sudo apt install nwchem
Started By : 4rhanes
0 280 Nov 7th 9:03 am
4rhanes
Install Issues on Windows 101 2
Started By : Hockswender
17 3531 Nov 6th 8:33 am
4rhanes
Compiling Nwchem in Theta Cray/KNL, error in tce module
Started By : Alvarovm
0 321 Oct 30th 4:06 pm
Alvarovm
How to compile the NWCHEM with cuda?
Started By : Jim
0 435 Sep 29th 10:53 pm
Jim
Problem building NWChem 6.8.1 on Ubuntu 18.0.4
Started By : Dafemec
0 0 Sep 29th 8:47 pm
Dafemec
Error compiling NWChem 6.8 on Titan
Started By : Mooresv
2 400 Sep 18th 3:31 pm
Edoapra
NWCHEM6.8 Is Successfully Built on Ubuntu Linux 18.04
Started By : Xiongyan21
0 623 Aug 23rd 3:20 am
Xiongyan21
Compiling Serial Version of NWChem 6.8
Started By : Tweymuth
0 461 Jul 26th 12:55 am
Tweymuth

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