Compiling NWChem

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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 8153 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 10401 Dec 14th 2:51 pm
Edoapra

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Compiling NWChem 7
Started By : Diego paschoal
3 20 Apr 3rd 9:32 am
Edoapra
Compilation of NWCHEM7.0.0 is successful on Ubuntu18.04
Started By : Xiongyan21
7 71 Mar 29th 3:21 am
Xiongyan21
installation problem
Started By : Shima
4 102 Mar 6th 1:37 pm
Shima
undefined reference to `MPI_Errhandler_set'
Started By : MoritzBraun
2 128 Feb 20th 12:47 am
MoritzBraun
Compiling NWChem on CentOS 8?
Started By : Jwkeller
1 257 Feb 3rd 11:43 am
Edoapra
Can't find MKL routines during compilation on CentOS 7 cluster
Started By : Epj
4 414 Feb 3rd 11:23 am
Epj
No rule to make NWCHEM target
Started By : Xiongyan21
2 267 Jan 29th 3:27 am
Xiongyan21
Problem with USE_OFFLOAD
Started By : Epj
12 363 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
5 168 Jan 15th 9:16 pm
Valtandor
FYI: build_nwchem error
Started By : Epj
0 179 Dec 23rd 9:12 am
Epj
NWChem Compilation Issues in the Cluster Solved
Started By : Tan294
0 366 Nov 17th 11:55 am
Tan294
lmpiblacs problems while compiling on Centos HPC
Started By : Bradjac2
6 341 Nov 6th 9:30 am
Bradjac2
NWChem error
Started By : Koeu
1 224 Nov 5th 11:15 am
Edoapra
Compiling with modified global.util.c
Started By : Jmk12
1 210 Nov 4th 5:25 pm
Jmk12
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
20 1213 Oct 28th 7:29 pm
John1234
Compiling 6.8 on Ubuntu 16.04 with GPU
Started By : VA-QM
1 599 Oct 8th 8:39 pm
VA-QM
Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 385 Oct 8th 9:13 am
Edoapra
libtool & link problem
Started By : Miro ilias
1 337 Sep 15th 2:59 am
Miro ilias
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 604 Jul 18th 9:39 am
Edoapra
6.8 on Windows
Started By : P99
3 1588 Jul 12th 10:58 am
Edoapra
Compiling Venus- NWChem 6.8.1 -Undefined Reference Error!
Started By : Hackneyed
0 347 Jun 24th 2:50 pm
Hackneyed
code exiting after 'entering davidson iterations'
Started By : Elena
1 390 Jun 13th 1:29 am
Elena
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
11 1311 Mar 27th 9:31 am
Edoapra
Can EA(IP)-EOM-CCSDT(CCSDTQ) methods be exported in NWCHEM?
Started By : Xiongyan21
0 554 Feb 21st 7:56 pm
Xiongyan21
NWCHEM6.8 can run on macOS Mojave 10.14.3
Started By : Xiongyan21
0 543 Feb 14th 4:58 am
Xiongyan21

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