Compiling NWChem

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Thread Title	Replies	Views	Last Action
Compiling latest nwchem latest snapshot without mpi	3	1690	Sep 2nd 9:44 am Edoapra
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64	4	8399	Aug 29th 6:44 pm Mernst
compilation problem	3	4843	Aug 26th 9:20 am Edoapra
Building 6.3 with gcc/CentOS 5, fails with error: �DLAMCHE� undeclared	1	2138	Aug 19th 11:18 am Edoapra
how do I set the path to python library for nwchem	7	6523	Jul 31st 8:07 am Jtande
error during compilation Nwchem-dev.revision25716-src.2014-06-09	12	5150	Jul 30th 6:47 am Zzdbl520
Trouble compiling NWChem with CUDA enabled	11	4009	Jul 24th 2:44 am Lbarnes
Is Nwchem 6.3 very demanding for I/O performance?	1	1860	Jul 22nd 4:11 pm Mernst
Compling NWChem with OpenMPI static linkage on Ubuntu 8.10	2	3188	Jul 22nd 2:46 am Sdecherchi
Cray XC30 and CLE 5.2	0	1640	Jul 20th 7:30 pm Dgrimwood
Instructions in the manual cannot set modules and define target	10	3118	Jul 9th 6:47 am Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64	1	1773	Jul 8th 11:59 am Edoapra
NWCHEM 6.1.1 on MIC node	3	1957	Jul 2nd 2:40 pm Hkikuchi
GA failing to compile in NWChem6.1.1	0	1574	Jun 26th 1:24 pm WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory	1	2024	Jun 26th 12:32 am Mernst
error compiling nwchem 6.3 last version released1 2	16	11424	Jun 25th 11:26 am Obm
Compiling nwchem-6.3 in a contemporary HPC with Xeon PHI	14	3604	Jun 23rd 2:48 pm Mernst
install nwchem	1	4667	Jun 13th 6:58 am Marcel
Trouble compiling NWChem with python support	4	3064	Jun 11th 4:16 pm Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort	9	5475	Jun 6th 5:20 pm Mernst
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?	2	1736	Jun 4th 8:08 am Huub
nproc always 4	1	1815	May 30th 8:40 am WillEverett
odd DFT-BSSE energy output...	6	4453	May 29th 6:43 am Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel	3	1831	May 22nd 1:43 am Twk
Why the unilization ratio of CPU is more than 100% in the running process of nwchem?	4	2532	May 21st 12:15 am Gvtheen

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