Compiling NWChem

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Locked Sticky: Website shutting down. Moving forum to google groups
Started By : Edoapra
0 916 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13252 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Compiling NWChem 6.6 on openSUSE42.11 2
Started By : Frankenstein
20 7349 Jun 4th 9:12 pm
Lailajannah
simple installation fail
Started By : Schezel2000
3 4902 May 29th 11:06 am
Ekant
Nwchem problems in Ubuntu 20.04 LTS when it runs in parallel.
Started By : Rintontin
2 115 May 27th 5:43 pm
Rintontin
installation problem
Started By : Shima
5 305 May 2nd 3:04 pm
Shima
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
13 1796 Apr 13th 10:06 am
Edoapra
Compiling NWChem 7
Started By : Diego paschoal
4 245 Apr 7th 8:44 pm
Diego paschoal
Compilation of NWCHEM7.0.0 is successful on Ubuntu18.04
Started By : Xiongyan21
7 248 Mar 29th 3:21 am
Xiongyan21
undefined reference to `MPI_Errhandler_set'
Started By : MoritzBraun
2 264 Feb 20th 12:47 am
MoritzBraun
Compiling NWChem on CentOS 8?
Started By : Jwkeller
1 404 Feb 3rd 11:43 am
Edoapra
Can't find MKL routines during compilation on CentOS 7 cluster
Started By : Epj
4 588 Feb 3rd 11:23 am
Epj
No rule to make NWCHEM target
Started By : Xiongyan21
2 421 Jan 29th 3:27 am
Xiongyan21
Problem with USE_OFFLOAD
Started By : Epj
12 491 Jan 27th 8:14 am
Epj
Compiling NWChem 6.8.1 on Mellanox Infiniband cluster with GNU compilers and Intel MPI and MKL
Started By : Valtandor
5 329 Jan 15th 9:16 pm
Valtandor
FYI: build_nwchem error
Started By : Epj
0 340 Dec 23rd 9:12 am
Epj
NWChem Compilation Issues in the Cluster Solved
Started By : Tan294
0 482 Nov 17th 11:55 am
Tan294
lmpiblacs problems while compiling on Centos HPC
Started By : Bradjac2
6 466 Nov 6th 9:30 am
Bradjac2
NWChem error
Started By : Koeu
1 368 Nov 5th 11:15 am
Edoapra
Compiling with modified global.util.c
Started By : Jmk12
1 340 Nov 4th 5:25 pm
Jmk12
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
20 1725 Oct 28th 7:29 pm
John1234
Compiling 6.8 on Ubuntu 16.04 with GPU
Started By : VA-QM
1 889 Oct 8th 8:39 pm
VA-QM
Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 586 Oct 8th 9:13 am
Edoapra
libtool & link problem
Started By : Miro ilias
1 537 Sep 15th 2:59 am
Miro ilias
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 711 Jul 18th 9:39 am
Edoapra
6.8 on Windows
Started By : P99
3 1790 Jul 12th 10:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
Started By : Hackneyed
0 463 Jun 24th 2:50 pm
Hackneyed

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