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Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 52 Oct 8th 9:13 am
Edoapra
Compiling NWChem
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
19 294 Sep 26th 12:32 am
John1234
Compiling NWChem
fon with rodft
Started By : G123
1 149 Sep 23rd 9:48 am
Edoapra
General Topics
Error in DPlot: VIEW and nOrb > 1 conflict
Started By : Marcel
1 221 Sep 9th 1:38 pm
Edoapra
Running NWChem
SCF residual greater than 1d-2 error for Raman calculation
Started By : IGClayson
3 95 Aug 29th 10:01 am
Edoapra
Running NWChem
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
5 194 Aug 27th 9:24 am
Edoapra
Running NWChem
I/O error for NWCHEM
Started By : Garfield
1 91 Aug 21st 4:28 pm
Edoapra
Running NWChem
Local ECP potential is zero and ignored
Started By : Gncs
4 1026 Aug 21st 9:17 am
Edoapra
Running NWChem
Problems with negative frequencies
Started By : Sophia.sagala
4 504 Aug 19th 3:07 pm
Edoapra
Running NWChem
cphf_solve2 issues for vibrational calculation in version 6.8.1
Started By : IGClayson
3 164 Aug 19th 9:47 am
IGClayson
Running NWChem
Problem in import calc from NWChem/ECCE output file
Started By : Niu
6 4394868 Aug 7th 11:35 am
Edoapra
General ECCE Topics
ioctl error when using nwchem with ase
Started By : Betacentauri
1 130 Aug 5th 12:05 pm
Edoapra
Running NWChem
Memory Error
Started By : Gpareras
3 113 Aug 2nd 9:15 am
Edoapra
Running NWChem
Description of geometry in output file
Started By : Sergbuto
1 94 Jul 31st 10:29 am
Edoapra
Running NWChem
SCAN meta-GGA functional
Started By : Bsantra
5 1138 Jul 22nd 11:58 am
Edoapra
NWChem functionality
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 419 Jul 18th 9:39 am
Edoapra
Compiling NWChem
Question about "actlist"and "fix atom"
Started By : Hong420
1 156 Jul 16th 9:17 am
Edoapra
General Topics
6.8 on Windows
Started By : P99
3 1162 Jul 12th 10:58 am
Edoapra
Compiling NWChem
SCF energy of the NWChem sample (H2O)
Started By : Hong420
15 367 Jul 10th 6:31 pm
Hong420
Running NWChem
Calculating oscillator strengths
Started By : Jmk12
2 186 Jul 3rd 10:48 am
Jmk12
Running NWChem
Restarting Hessian Calculation
Started By : Himadride
5 2573 Jun 24th 9:38 am
Seebol
Running NWChem
NWChem6.8.1 MA Error
Started By : Srhhh
2 238 Jun 23rd 2:33 pm
Srhhh
Running NWChem
code exiting after 'entering davidson iterations'
Started By : Elena
1 191 Jun 13th 1:29 am
Elena
Compiling NWChem
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 6289 Jun 12th 3:03 pm
Cong314159
General Topics
Contributing problem
Started By : Reeming
6 551 Jun 7th 4:51 pm
Edoapra
General BSE Topics
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