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Error in compiliation on GPU
Started By : Prasanthi
1 193 Jun 18th 3:54 pm
Edoapra
Compiling NWChem
About the calculation1
Started By : Greatqi
3 120 Jun 13th 11:10 am
Edoapra
Running NWChem
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
6 278 Jun 7th 10:48 am
Edoapra
Feedback
Error when compiling NWchem 6.8
Started By : Belliger
1 271 Jun 4th 10:35 am
Edoapra
Compiling NWChem
Dummy atoms directive in NWChem
Started By : Neo
6 248 May 10th 11:03 pm
Neo
Running NWChem
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
Started By : Rangsiman
1 186 May 7th 9:22 am
Edoapra
NWChem functionality
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 142 May 5th 5:44 am
Marcel
Running NWChem
Grid specification for dummy atoms
Started By : Bmoore17
3 2305 May 3rd 10:34 pm
Neo
NWChem functionality
How to download old versions of NWCHEM?
Started By : Xinyma
2 193 May 3rd 2:35 pm
Xinyma
General Topics
Problem in CRENBL ECP (Iron) data in EMSL
Started By : Hideo
3 183 Apr 30th 1:44 am
Hideo
General BSE Topics
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 347 Apr 26th 5:10 am
Sean
Running NWChem
Compiling NWChem 6.8.1 on ARCHER using Intel
Started By : Gh3orghiu
5 307 Apr 25th 10:58 am
Gh3orghiu
Compiling NWChem
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 185 Apr 22nd 3:22 pm
Xinyma
General Topics
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 265 Apr 20th 9:52 am
EmilioMac
General Topics
4c integrals
Started By : Mdvorak
1 146 Apr 18th 10:38 am
Edoapra
NWChem functionality
A request for help1 2
Started By : Jason York
19 3198 Apr 16th 4:50 pm
4rhanes
Compiling NWChem
ANO-RCC basis set for Yb
Started By : EmilioMac
3 290 Apr 4th 7:30 am
EmilioMac
General Topics
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018
3 216 Apr 3rd 10:01 am
Edoapra
Running NWChem
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu
1 333 Apr 2nd 10:01 am
Edoapra
Compiling NWChem
Problems running NWChem 6.5
Started By : Giaccai
2 236 Apr 2nd 7:07 am
Giaccai
Running NWChem
Units of DPLOT Cube Output
Started By : Philly GT
1 201 Mar 30th 9:47 am
Edoapra
NWChem functionality
Testing NWChem installation for correctness
Started By : Luiceur
4 471 Mar 29th 7:45 am
Chrisn77
Compiling NWChem
Sulfur Correlation Consistent Inconsistencies
Started By : JonathonM.
2 272 Mar 29th 5:52 am
JonathonM.
General BSE Topics
Compiling NWChem Ubuntu 17.10
Started By : Diego paschoal
2 526 Mar 28th 3:27 am
Rangsiman
Compiling NWChem
Compiling NWChem fails on Ubuntu 16.04
Started By : Anhvt89
1 340 Mar 26th 4:27 pm
Edoapra
Compiling NWChem
theory not specified dplot
Started By : Ac287
2 237 Mar 22nd 10:18 am
Ac287
Running NWChem
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