Compiling NWChem

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Announcement's Replies Views Last Action
Sticky: Beta version of NWChem 6.6 available for download
Started By : Edoapra
2 222 Sep 30th 10:14 am
Edoapra
NWChem 6.5 has been released
Started By : Karol
0 9001 Sep 15th 11:02 am
Karol

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Thread Title Replies Views Last Action
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 946 Jul 9th 6:47 am
Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64
Started By : Yulia
1 582 Jul 8th 11:59 am
Edoapra
NWCHEM 6.1.1 on MIC node
Started By : Hkikuchi
3 698 Jul 2nd 2:40 pm
Hkikuchi
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 684 Jun 26th 8:19 pm
Xiongyan21
GA failing to compile in NWChem6.1.1
Started By : WillEverett
0 413 Jun 26th 1:24 pm
WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 564 Jun 26th 12:32 am
Mernst
error compiling nwchem 6.3 last version released1 2
Started By : Lorenzodona
16 3756 Jun 25th 11:26 am
Obm
Compiling nwchem-6.3 in a contemporary HPC with Xeon PHI
Started By : Obm
14 1210 Jun 23rd 2:48 pm
Mernst
install nwchem
Started By : Marcel
1 1562 Jun 13th 6:58 am
Marcel
Trouble compiling NWChem with python support
Started By : Jwkeller
4 882 Jun 11th 4:16 pm
Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort
Started By : Yury
9 1550 Jun 6th 5:20 pm
Mernst
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 588 Jun 4th 8:08 am
Huub
nproc always 4
Started By : WillEverett
1 580 May 30th 8:40 am
WillEverett
odd DFT-BSSE energy output...
Started By : Neo
6 1774 May 29th 6:43 am
Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel
Started By : Twk
3 684 May 22nd 1:43 am
Twk
Why the unilization ratio of CPU is more than 100% in the running process of nwchem?
Started By : Gvtheen
4 782 May 21st 12:15 am
Gvtheen
Running with OpenMPI on multiple nodes failing
Started By : Pabugeater
8 1619 May 19th 2:13 am
Gvtheen
error compiling nwchem 6.3 May 2014 version released
Started By : Avelon
7 788 May 13th 11:18 pm
Avelon
NWchem 6.3 compile problems with Intel compilers: ics-2013.0.028
Started By : Crookscj
4 2375 May 8th 10:34 am
WillEverett
naming convention of the tarball
Started By : Marcindulak
5 939 May 7th 9:52 pm
Huub
official RPMS for RHEL6 and Fedora >=19: feedback needed
Started By : Marcindulak
3 1819 May 6th 9:25 am
Marcindulak
a new user of nwchem, several issue for help!!
Started By : Bsmile
4 1002 Apr 26th 5:39 pm
Bsmile
Request for building script for a IBM Power7 AIX 6.1 Systems
Started By : Chiensh
1 802 Apr 24th 1:19 pm
Edoapra
Compiling NWChem 6.3 on BlueGene/Q
Started By : Twk
5 1014 Apr 16th 1:52 pm
Huub
Enabling TCE_CUDA
Started By : Nino
1 558 Apr 15th 4:48 pm
Huub

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