Compiling NWChem

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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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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
Running with OpenMPI on multiple nodes failing
8 7996 May 19th 2:13 am
Gvtheen
error compiling nwchem 6.3 May 2014 version released
7 1766 May 13th 11:18 pm
Avelon
NWchem 6.3 compile problems with Intel compilers: ics-2013.0.028
4 5291 May 8th 10:34 am
WillEverett
naming convention of the tarball
5 2266 May 7th 9:52 pm
Huub
official RPMS for RHEL6 and Fedora >=19: feedback needed
3 4297 May 6th 9:25 am
Marcindulak
a new user of nwchem, several issue for help!!
4 2267 Apr 26th 5:39 pm
Bsmile
Request for building script for a IBM Power7 AIX 6.1 Systems
1 2360 Apr 24th 1:19 pm
Edoapra
Compiling NWChem 6.3 on BlueGene/Q
5 2379 Apr 16th 1:52 pm
Huub
Enabling TCE_CUDA
1 2338 Apr 15th 4:48 pm
Huub
Compiling NWChem with VampirTrace on Titan
1 1643 Apr 10th 4:11 pm
Huub
nwchem-6.3 in cygwin
1 1682 Apr 8th 2:00 pm
Huub
Building Nwchem against a separate GA library
2 1783 Mar 7th 1:13 pm
Marcindulak
Error: name chosen for NWCHEM_TOP is longer than ...
1 29809 Feb 27th 1:54 pm
Edoapra
Compiling NWChem 6.3 with Myrinet MX
7 1700 Feb 20th 10:33 am
Edoapra
Compiling on Cray XE6/XE7
3 2511 Feb 14th 2:39 pm
Edoapra
Nwchem-src-2014-01-28 broken on Fedora 20 x86_64
8 3459 Feb 9th 7:21 am
Marcindulak
Compiling error in geom_hnd.F
2 2346 Feb 7th 10:16 am
Gmatthias.ullmann
problem with task scf
3 2056 Jan 31st 9:33 pm
Lovi
Using prebuild GA with NWchem 6.3
1 1631 Jan 24th 6:08 pm
Edoapra
compile NWChem 6.3 with intel scalapack - segmentation fault
1 2255 Jan 20th 6:16 pm
Edoapra
problem with compiling on MacOs
7 2531 Jan 15th 12:48 pm
Edoapra

Forum >> NWChem's corner >> Compiling NWChem
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