Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1109 Dec 14th 2:51 pm
Edoapra

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Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3?
Started By : Ohlincha
6 2892 Sep 16th 6:04 pm
Ohlincha
Having Issue Compiling Nwchem 6.3
Started By : Neo
9 2131 Sep 13th 6:58 am
Edoapra
Nwchem 6.3 checking whether a simple Fortran MPI program compiles... no
Started By : Reoverstreet
5 4720 Sep 13th 6:49 am
Edoapra
A bug in compiling nwchem 6.5
Started By : Hajiabadi
4 1334 Sep 11th 10:09 am
Hajiabadi
GNU make 3.82 issue
Started By : Kernelpanic
10 5942 Sep 9th 5:15 am
Neo
Issues compiling NWChem 6.0
Started By : Cuevasr
5 1084 Sep 7th 10:49 pm
Edoapra
"No such file or directory" during compilling NWCHEM 6.3 REV 2 or NWCHEM 6.1.1 ON MAC
Started By : Xiongyan21
1 1418 Sep 5th 9:12 am
Edoapra
Re: Beta version of NWChem 6.5 available for testing
Started By : Mpjohans
4 1507 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 1554 Sep 2nd 6:21 pm
Edoapra
Compiling latest nwchem latest snapshot without mpi
Started By : Cmjohns6
3 1130 Sep 2nd 9:44 am
Edoapra
HOWTO: compiling nwchem-6.5 beta on Ubuntu 14.04 x86-64
Started By : Mernst
4 7038 Aug 29th 6:44 pm
Mernst
compilation problem
Started By : Clusterix
3 3880 Aug 26th 9:20 am
Edoapra
Building 6.3 with gcc/CentOS 5, fails with error: �DLAMCHE� undeclared
Started By : Djennewe
1 1711 Aug 19th 11:18 am
Edoapra
how do I set the path to python library for nwchem
Started By : Jtande
7 4305 Jul 31st 8:07 am
Jtande
error during compilation Nwchem-dev.revision25716-src.2014-06-09
Started By : Marcel
12 4509 Jul 30th 6:47 am
Zzdbl520
Trouble compiling NWChem with CUDA enabled
Started By : Jwkeller
11 3242 Jul 24th 2:44 am
Lbarnes
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1403 Jul 22nd 4:11 pm
Mernst
Compling NWChem with OpenMPI static linkage on Ubuntu 8.10
Started By : Sdecherchi
2 2318 Jul 22nd 2:46 am
Sdecherchi
Cray XC30 and CLE 5.2
Started By : Dgrimwood
0 1209 Jul 20th 7:30 pm
Dgrimwood
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 2287 Jul 9th 6:47 am
Xiongyan21
Problem with Compilation on Intel Xeon 5670, GNU/Linux CentOS 5 x86_64
Started By : Yulia
1 1360 Jul 8th 11:59 am
Edoapra
NWCHEM 6.1.1 on MIC node
Started By : Hkikuchi
3 1409 Jul 2nd 2:40 pm
Hkikuchi
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1455 Jun 26th 8:19 pm
Xiongyan21
GA failing to compile in NWChem6.1.1
Started By : WillEverett
0 1211 Jun 26th 1:24 pm
WillEverett
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1491 Jun 26th 12:32 am
Mernst
error compiling nwchem 6.3 last version released1 2
Started By : Lorenzodona
16 8966 Jun 25th 11:26 am
Obm

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