Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Can't find MKL routines during compilation on CentOS 7 cluster
4 657 Feb 3rd 11:23 am
Epj
No rule to make NWCHEM target
2 492 Jan 29th 3:27 am
Xiongyan21
Problem with USE_OFFLOAD
12 558 Jan 27th 8:14 am
Epj
Compiling NWChem 6.8.1 on Mellanox Infiniband cluster with GNU compilers and Intel MPI and MKL
5 404 Jan 15th 9:16 pm
Valtandor
FYI: build_nwchem error
0 391 Dec 23rd 9:12 am
Epj
NWChem Compilation Issues in the Cluster Solved
0 556 Nov 17th 11:55 am
Tan294
lmpiblacs problems while compiling on Centos HPC
6 525 Nov 6th 9:30 am
Bradjac2
NWChem error
1 416 Nov 5th 11:15 am
Edoapra
Compiling with modified global.util.c
1 401 Nov 4th 5:25 pm
Jmk12
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
20 2034 Oct 28th 7:29 pm
John1234
Compiling 6.8 on Ubuntu 16.04 with GPU
1 967 Oct 8th 8:39 pm
VA-QM
Compiling 6.8.1 on CentOS Cluster with OpenMPI
1 654 Oct 8th 9:13 am
Edoapra
libtool & link problem
1 605 Sep 15th 2:59 am
Miro ilias
v6.8.1 error in ddot intel compiler
3 762 Jul 18th 9:39 am
Edoapra
6.8 on Windows
3 1858 Jul 12th 10:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
0 510 Jun 24th 2:50 pm
Hackneyed
code exiting after 'entering davidson iterations'
1 600 Jun 13th 1:29 am
Elena
Can EA(IP)-EOM-CCSDT(CCSDTQ) methods be exported in NWCHEM?
0 705 Feb 21st 7:56 pm
Xiongyan21
NWCHEM6.8 can run on macOS Mojave 10.14.3
0 711 Feb 14th 4:58 am
Xiongyan21
Compiling NWChem 6.8 on CentOS 7.4 - problems w kernel 3.10.0-693.17.1
5 1532 Feb 11th 12:13 pm
Jwkeller
Compiling NWChem in Ubuntu - Error MPI
2 874 Feb 5th 8:40 pm
Diego paschoal
Compilation of nwchem-6.8 in Mac OS: Error at "make nwchem_config" step
1 673 Feb 4th 10:52 am
Edoapra
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
3 1966 Jan 23rd 11:05 am
Edoapra
Instructions to build with OpenMPI are outdated
3 791 Jan 21st 4:48 pm
Edoapra
Does NWCHEM need an additional MKL
2 643 Jan 5th 4:41 pm
Xiongyan21

Forum >> NWChem's corner >> Compiling NWChem
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