Compiling NWChem

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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3192 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5285 Dec 14th 2:51 pm
Edoapra

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Compiling 6.8 on Ubuntu 16.04 with GPU
Started By : VA-QM
1 100 Oct 8th 8:39 pm
VA-QM
Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 52 Oct 8th 9:13 am
Edoapra
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
19 294 Sep 26th 12:32 am
John1234
libtool & link problem
Started By : Miro ilias
1 70 Sep 15th 2:59 am
Miro ilias
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 419 Jul 18th 9:39 am
Edoapra
6.8 on Windows
Started By : P99
3 1162 Jul 12th 10:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
Started By : Hackneyed
0 150 Jun 24th 2:50 pm
Hackneyed
code exiting after 'entering davidson iterations'
Started By : Elena
1 191 Jun 13th 1:29 am
Elena
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
11 734 Mar 27th 9:31 am
Edoapra
Can EA(IP)-EOM-CCSDT(CCSDTQ) methods be exported in NWCHEM?
Started By : Xiongyan21
0 314 Feb 21st 7:56 pm
Xiongyan21
NWCHEM6.8 can run on macOS Mojave 10.14.3
Started By : Xiongyan21
0 326 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 1093 Feb 11th 12:13 pm
Jwkeller
Compiling NWChem in Ubuntu - Error MPI
Started By : Diego paschoal
2 395 Feb 5th 8:40 pm
Diego paschoal
Compilation of nwchem-6.8 in Mac OS: Error at "make nwchem_config" step
Started By : Sumanc
1 326 Feb 4th 10:52 am
Edoapra
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
Started By : Hrbuchanan
3 1072 Jan 23rd 11:05 am
Edoapra
Instructions to build with OpenMPI are outdated
Started By : Yurivict
3 392 Jan 21st 4:48 pm
Edoapra
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 315 Jan 5th 4:41 pm
Xiongyan21
Issue Comiling NWChem 6.8 on CentOS 7
Started By : Ryan81
1 409 Jan 3rd 1:13 pm
Edoapra
NWPW Missing Library File
Started By : Ryan81
0 353 Nov 27th 10:21 am
Ryan81
trivial date formatting problem in compiling nwchem.F
Started By : Lukeg
1 409 Nov 12th 10:53 am
Edoapra
Problem building NWChem 6.8.1 on Ubuntu 18.0.4 -- Solved
Started By : Dafemec
2 1614 Nov 7th 10:46 am
4rhanes
MPIRUN after Ubuntu install from sudo apt install nwchem
Started By : 4rhanes
0 384 Nov 7th 9:03 am
4rhanes
Install Issues on Windows 101 2
Started By : Hockswender
17 4149 Nov 6th 8:33 am
4rhanes
Compiling Nwchem in Theta Cray/KNL, error in tce module
Started By : Alvarovm
0 417 Oct 30th 4:06 pm
Alvarovm
How to compile the NWCHEM with cuda?
Started By : Jim
0 575 Sep 29th 10:53 pm
Jim

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