Compiling NWChem

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NWChem 6.5 has been released
Started By : Karol
0 237 Sep 15th 10:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 4660 Feb 2nd 6:13 pm
Bert

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Thread Title Replies Views Last Action
install nwchem
Started By : Marcel
1 751 Jun 13th 5:58 am
Marcel
Trouble compiling NWChem with python support
Started By : Jwkeller
4 336 Jun 11th 3:16 pm
Mernst
compile nwchem-6-3 with openmpi1.6.5 & ifort
Started By : Yury
9 724 Jun 6th 4:20 pm
Mernst
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 282 Jun 4th 7:08 am
Huub
nproc always 4
Started By : WillEverett
1 270 May 30th 7:40 am
WillEverett
odd DFT-BSSE energy output...
Started By : Neo
6 829 May 29th 5:43 am
Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel
Started By : Twk
3 359 May 22nd 12:43 am
Twk
Why the unilization ratio of CPU is more than 100% in the running process of nwchem?
Started By : Gvtheen
4 315 May 20th 11:15 pm
Gvtheen
Running with OpenMPI on multiple nodes failing
Started By : Pabugeater
8 563 May 19th 1:13 am
Gvtheen
error compiling nwchem 6.3 May 2014 version released
Started By : Avelon
7 361 May 13th 10:18 pm
Avelon
NWchem 6.3 compile problems with Intel compilers: ics-2013.0.028
Started By : Crookscj
4 1640 May 8th 9:34 am
WillEverett
naming convention of the tarball
Started By : Marcindulak
5 445 May 7th 8:52 pm
Huub
official RPMS for RHEL6 and Fedora >=19: feedback needed
Started By : Marcindulak
3 965 May 6th 8:25 am
Marcindulak
a new user of nwchem, several issue for help!!
Started By : Bsmile
4 470 Apr 26th 4:39 pm
Bsmile
Request for building script for a IBM Power7 AIX 6.1 Systems
Started By : Chiensh
1 412 Apr 24th 12:19 pm
Edoapra
Compiling NWChem 6.3 on BlueGene/Q
Started By : Twk
5 643 Apr 16th 12:52 pm
Huub
Enabling TCE_CUDA
Started By : Nino
1 277 Apr 15th 3:48 pm
Huub
Compiling NWChem with VampirTrace on Titan
Started By : Jagode
1 426 Apr 10th 3:11 pm
Huub
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
1 505 Apr 8th 3:30 pm
Huub
nwchem-6.3 in cygwin
Started By : Manash
1 394 Apr 8th 1:00 pm
Huub
Building Nwchem against a separate GA library
Started By : Marcindulak
2 363 Mar 7th 12:13 pm
Marcindulak
Error: name chosen for NWCHEM_TOP is longer than ...
Started By : Marcindulak
1 375 Feb 27th 12:54 pm
Edoapra
Compiling NWChem 6.3 with Myrinet MX
Started By : Michaelbarnes
7 445 Feb 20th 9:33 am
Edoapra
Compiling on Cray XE6/XE7
Started By : MHermes
3 506 Feb 14th 1:39 pm
Edoapra
Nwchem-src-2014-01-28 broken on Fedora 20 x86_64
Started By : Marcindulak
8 944 Feb 9th 6:21 am
Marcindulak

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