Compiling NWChem


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

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compile nwchem-6-3.revision2-src.2013-10-17 with openmpi-1.6.4 on Ubuntu x86_64 GNU/Linux
 1 2037 Sep 2nd 6:21 pm
Edoapra
Compiling latest nwchem latest snapshot without mpi
 3 1616 Sep 2nd 9:44 am
Edoapra
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
 4 8266 Aug 29th 6:44 pm
Mernst
compilation problem
 3 4742 Aug 26th 9:20 am
Edoapra
Building 6.3 with gcc/CentOS 5, fails with error: �DLAMCHE� undeclared
 1 2075 Aug 19th 11:18 am
Edoapra
how do I set the path to python library for nwchem
 7 6435 Jul 31st 8:07 am
Jtande
error during compilation Nwchem-dev.revision25716-src.2014-06-09
 12 5069 Jul 30th 6:47 am
Zzdbl520
Trouble compiling NWChem with CUDA enabled
 11 3942 Jul 24th 2:44 am
Lbarnes
Is Nwchem 6.3 very demanding for I/O performance?
 1 1790 Jul 22nd 4:11 pm
Mernst
Compling NWChem with OpenMPI static linkage on Ubuntu 8.10
 2 3100 Jul 22nd 2:46 am
Sdecherchi
Cray XC30 and CLE 5.2
 0 1571 Jul 20th 7:30 pm
Dgrimwood
Instructions in the manual cannot set modules and define target
 10 3033 Jul 9th 6:47 am
Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64
 1 1688 Jul 8th 11:59 am
Edoapra
NWCHEM 6.1.1 on MIC node
 3 1898 Jul 2nd 2:40 pm
Hkikuchi
GA failing to compile in NWChem6.1.1
 0 1519 Jun 26th 1:24 pm
WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory
 1 1975 Jun 26th 12:32 am
Mernst
error compiling nwchem 6.3 last version released1 2
 16 11105 Jun 25th 11:26 am
Obm
Compiling nwchem-6.3 in a contemporary HPC with Xeon PHI
 14 3519 Jun 23rd 2:48 pm
Mernst
install nwchem
 1 4538 Jun 13th 6:58 am
Marcel
Trouble compiling NWChem with python support
 4 2988 Jun 11th 4:16 pm
Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort
 9 5374 Jun 6th 5:20 pm
Mernst
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
 2 1657 Jun 4th 8:08 am
Huub
nproc always 4
 1 1749 May 30th 8:40 am
WillEverett
odd DFT-BSSE energy output...
 6 4371 May 29th 6:43 am
Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel
 3 1751 May 22nd 1:43 am
Twk

Forum >> NWChem's corner >> Compiling NWChem
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