Compiling NWChem

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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4658 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6742 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
Can't find MKL routines during compilation on CentOS 7 cluster
Started By : Epj
0 39 Dec 3rd 1:42 pm
Epj
NWChem Compilation Issues in the Cluster Solved
Started By : Tan294
0 191 Nov 17th 10:55 am
Tan294
lmpiblacs problems while compiling on Centos HPC
Started By : Bradjac2
6 174 Nov 6th 8:30 am
Bradjac2
NWChem error
Started By : Koeu
1 74 Nov 5th 10:15 am
Edoapra
Compiling with modified global.util.c
Started By : Jmk12
1 76 Nov 4th 4:25 pm
Jmk12
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
20 665 Oct 28th 6:29 pm
John1234
Compiling 6.8 on Ubuntu 16.04 with GPU
Started By : VA-QM
1 318 Oct 8th 7:39 pm
VA-QM
Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 160 Oct 8th 8:13 am
Edoapra
libtool & link problem
Started By : Miro ilias
1 147 Sep 15th 1:59 am
Miro ilias
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 491 Jul 18th 8:39 am
Edoapra
6.8 on Windows
Started By : P99
3 1290 Jul 12th 9:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
Started By : Hackneyed
0 223 Jun 24th 1:50 pm
Hackneyed
code exiting after 'entering davidson iterations'
Started By : Elena
1 265 Jun 13th 12:29 am
Elena
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
11 928 Mar 27th 8:31 am
Edoapra
Can EA(IP)-EOM-CCSDT(CCSDTQ) methods be exported in NWCHEM?
Started By : Xiongyan21
0 399 Feb 21st 6:56 pm
Xiongyan21
NWCHEM6.8 can run on macOS Mojave 10.14.3
Started By : Xiongyan21
0 396 Feb 14th 3:58 am
Xiongyan21
Compiling NWChem 6.8 on CentOS 7.4 - problems w kernel 3.10.0-693.17.1
Started By : Jwkeller
5 1174 Feb 11th 11:13 am
Jwkeller
Compiling NWChem in Ubuntu - Error MPI
Started By : Diego paschoal
2 484 Feb 5th 7:40 pm
Diego paschoal
Compilation of nwchem-6.8 in Mac OS: Error at "make nwchem_config" step
Started By : Sumanc
1 404 Feb 4th 9:52 am
Edoapra
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
Started By : Hrbuchanan
3 1270 Jan 23rd 10:05 am
Edoapra
Instructions to build with OpenMPI are outdated
Started By : Yurivict
3 469 Jan 21st 3:48 pm
Edoapra
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 387 Jan 5th 3:41 pm
Xiongyan21
Issue Comiling NWChem 6.8 on CentOS 7
Started By : Ryan81
1 476 Jan 3rd 12:13 pm
Edoapra
NWPW Missing Library File
Started By : Ryan81
0 427 Nov 27th 9:21 am
Ryan81
trivial date formatting problem in compiling nwchem.F
Started By : Lukeg
1 491 Nov 12th 9:53 am
Edoapra

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