Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 183 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
Compling NWChem with OpenMPI static linkage on Ubuntu 8.10
Started By : Sdecherchi
2 2056 Jul 22nd 1:46 am
Sdecherchi
Cray XC30 and CLE 5.2
Started By : Dgrimwood
0 1080 Jul 20th 6:30 pm
Dgrimwood
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 1991 Jul 9th 5:47 am
Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64
Started By : Yulia
1 1251 Jul 8th 10:59 am
Edoapra
NWCHEM 6.1.1 on MIC node
Started By : Hkikuchi
3 1283 Jul 2nd 1:40 pm
Hkikuchi
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1335 Jun 26th 7:19 pm
Xiongyan21
GA failing to compile in NWChem6.1.1
Started By : WillEverett
0 1053 Jun 26th 12:24 pm
WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1285 Jun 25th 11:32 pm
Mernst
error compiling nwchem 6.3 last version released1 2
Started By : Lorenzodona
16 7771 Jun 25th 10:26 am
Obm
Compiling nwchem-6.3 in a contemporary HPC with Xeon PHI
Started By : Obm
14 2626 Jun 23rd 1:48 pm
Mernst
install nwchem
Started By : Marcel
1 3035 Jun 13th 5:58 am
Marcel
Trouble compiling NWChem with python support
Started By : Jwkeller
4 1855 Jun 11th 3:16 pm
Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort
Started By : Yury
9 4131 Jun 6th 4:20 pm
Mernst
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 1169 Jun 4th 7:08 am
Huub
nproc always 4
Started By : WillEverett
1 1247 May 30th 7:40 am
WillEverett
odd DFT-BSSE energy output...
Started By : Neo
6 3291 May 29th 5:43 am
Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel
Started By : Twk
3 1238 May 22nd 12:43 am
Twk
Why the unilization ratio of CPU is more than 100% in the running process of nwchem?
Started By : Gvtheen
4 1548 May 20th 11:15 pm
Gvtheen
Running with OpenMPI on multiple nodes failing
Started By : Pabugeater
8 5100 May 19th 1:13 am
Gvtheen
error compiling nwchem 6.3 May 2014 version released
Started By : Avelon
7 1359 May 13th 10:18 pm
Avelon
NWchem 6.3 compile problems with Intel compilers: ics-2013.0.028
Started By : Crookscj
4 3991 May 8th 9:34 am
WillEverett
naming convention of the tarball
Started By : Marcindulak
5 1577 May 7th 8:52 pm
Huub
official RPMS for RHEL6 and Fedora >=19: feedback needed
Started By : Marcindulak
3 3286 May 6th 8:25 am
Marcindulak
a new user of nwchem, several issue for help!!
Started By : Bsmile
4 1635 Apr 26th 4:39 pm
Bsmile
Request for building script for a IBM Power7 AIX 6.1 Systems
Started By : Chiensh
1 1487 Apr 24th 12:19 pm
Edoapra
Compiling NWChem 6.3 on BlueGene/Q
Started By : Twk
5 1762 Apr 16th 12:52 pm
Huub

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