Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2162 Dec 14th 1:51 pm
Edoapra

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How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 1384 Jun 4th 7:08 am
Huub
nproc always 4
Started By : WillEverett
1 1503 May 30th 7:40 am
WillEverett
odd DFT-BSSE energy output...
Started By : Neo
6 3937 May 29th 5:43 am
Neo
Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel
Started By : Twk
3 1539 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 1958 May 20th 11:15 pm
Gvtheen
Running with OpenMPI on multiple nodes failing
Started By : Pabugeater
8 6655 May 19th 1:13 am
Gvtheen
error compiling nwchem 6.3 May 2014 version released
Started By : Avelon
7 1550 May 13th 10:18 pm
Avelon
NWchem 6.3 compile problems with Intel compilers: ics-2013.0.028
Started By : Crookscj
4 4624 May 8th 9:34 am
WillEverett
naming convention of the tarball
Started By : Marcindulak
5 1887 May 7th 8:52 pm
Huub
official RPMS for RHEL6 and Fedora >=19: feedback needed
Started By : Marcindulak
3 3805 May 6th 8:25 am
Marcindulak
a new user of nwchem, several issue for help!!
Started By : Bsmile
4 1881 Apr 26th 4:39 pm
Bsmile
Request for building script for a IBM Power7 AIX 6.1 Systems
Started By : Chiensh
1 1871 Apr 24th 12:19 pm
Edoapra
Compiling NWChem 6.3 on BlueGene/Q
Started By : Twk
5 1987 Apr 16th 12:52 pm
Huub
Enabling TCE_CUDA
Started By : Nino
1 1744 Apr 15th 3:48 pm
Huub
Compiling NWChem with VampirTrace on Titan
Started By : Jagode
1 1342 Apr 10th 3:11 pm
Huub
nwchem-6.3 in cygwin
Started By : Manash
1 1364 Apr 8th 1:00 pm
Huub
Building Nwchem against a separate GA library
Started By : Marcindulak
2 1463 Mar 7th 12:13 pm
Marcindulak
Error: name chosen for NWCHEM_TOP is longer than ...
Started By : Marcindulak
1 29494 Feb 27th 12:54 pm
Edoapra
Compiling NWChem 6.3 with Myrinet MX
Started By : Michaelbarnes
7 1465 Feb 20th 9:33 am
Edoapra
Compiling on Cray XE6/XE7
Started By : MHermes
3 2141 Feb 14th 1:39 pm
Edoapra
Nwchem-src-2014-01-28 broken on Fedora 20 x86_64
Started By : Marcindulak
8 3034 Feb 9th 6:21 am
Marcindulak
Compiling error in geom_hnd.F
Started By : Gmatthias.ullmann
2 2018 Feb 7th 9:16 am
Gmatthias.ullmann
problem with task scf
Started By : Lovika
3 1735 Jan 31st 8:33 pm
Lovi
Using prebuild GA with NWchem 6.3
Started By : Gshamov
1 1392 Jan 24th 5:08 pm
Edoapra
compile NWChem 6.3 with intel scalapack - segmentation fault
Started By : Ryetschye
1 1952 Jan 20th 5:16 pm
Edoapra

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