Compiling NWChem

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1909 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1975 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5477 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
"No such file or directory" during compilling NWCHEM 6.3 REV 2 or NWCHEM 6.1.1 ON MAC
Started By : Xiongyan21
1 1242 Sep 5th 9:12 am
Edoapra
Re: Beta version of NWChem 6.5 available for testing
Started By : Mpjohans
4 1249 Sep 4th 4:32 pm
Edoapra
compile nwchem-6-3.revision2-src.2013-10-17 with openmpi-1.6.4 on Ubuntu x86_64 GNU/Linux
Started By : Himadride
1 1274 Sep 2nd 6:21 pm
Edoapra
Compiling latest nwchem latest snapshot without mpi
Started By : Cmjohns6
3 979 Sep 2nd 9:44 am
Edoapra
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
Started By : Mernst
4 5935 Aug 29th 6:44 pm
Mernst
compilation problem
Started By : Clusterix
3 3451 Aug 26th 9:20 am
Edoapra
Building 6.3 with gcc/CentOS 5, fails with error: �DLAMCHE� undeclared
Started By : Djennewe
1 1449 Aug 19th 11:18 am
Edoapra
how do I set the path to python library for nwchem
Started By : Jtande
7 3835 Jul 31st 8:07 am
Jtande
error during compilation Nwchem-dev.revision25716-src.2014-06-09
Started By : Marcel
12 4042 Jul 30th 6:47 am
Zzdbl520
Trouble compiling NWChem with CUDA enabled
Started By : Jwkeller
11 2870 Jul 24th 2:44 am
Lbarnes
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1216 Jul 22nd 4:11 pm
Mernst
Compling NWChem with OpenMPI static linkage on Ubuntu 8.10
Started By : Sdecherchi
2 1944 Jul 22nd 2:46 am
Sdecherchi
Cray XC30 and CLE 5.2
Started By : Dgrimwood
0 1015 Jul 20th 7:30 pm
Dgrimwood
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 1866 Jul 9th 6:47 am
Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64
Started By : Yulia
1 1188 Jul 8th 11:59 am
Edoapra
NWCHEM 6.1.1 on MIC node
Started By : Hkikuchi
3 1205 Jul 2nd 2:40 pm
Hkikuchi
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1255 Jun 26th 8:19 pm
Xiongyan21
GA failing to compile in NWChem6.1.1
Started By : WillEverett
0 970 Jun 26th 1:24 pm
WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1225 Jun 26th 12:32 am
Mernst
error compiling nwchem 6.3 last version released1 2
Started By : Lorenzodona
16 7179 Jun 25th 11:26 am
Obm
Compiling nwchem-6.3 in a contemporary HPC with Xeon PHI
Started By : Obm
14 2444 Jun 23rd 2:48 pm
Mernst
install nwchem
Started By : Marcel
1 2910 Jun 13th 6:58 am
Marcel
Trouble compiling NWChem with python support
Started By : Jwkeller
4 1715 Jun 11th 4:16 pm
Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort
Started By : Yury
9 3933 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 1116 Jun 4th 8:08 am
Huub

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