Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: Website shutting down. Moving forum to google groups
Started By : Edoapra
0 855 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13205 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 25891011121314Next 25Last
Thread Title Replies Views Last Action
PDOS calculation with nwchem
Started By : Ghoshnaren13
0 636 May 1st 1:51 am
Ghoshnaren13
Optimized geometry is different from G09 or Quantum espresso.
Started By : Ghoshnaren13
1 748 May 1st 1:48 am
Ghoshnaren13
Atoms Are Too Close, Please Check your Geometry Input
Started By : Dcanales395
7 1508 Apr 26th 5:10 am
Sean
tce CCSD(t) calculation 6DTS error
Started By : ChemHunter
1 603 Apr 23rd 3:58 pm
Karol
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
Started By : Xiongyan21
0 577 Apr 6th 9:05 pm
Xiongyan21
Classical MD prepare not finding default force-field directories?
Started By : Smithmd
0 492 Apr 5th 9:44 am
Smithmd
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018
3 855 Apr 3rd 10:01 am
Edoapra
Problems running NWChem 6.5
Started By : Giaccai
2 780 Apr 2nd 7:07 am
Giaccai
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu
0 29569 Apr 1st 1:29 am
Jskennyu
Incorrect Orbital Plot
Started By : Ryan81
1 861 Mar 23rd 11:40 pm
Yzhang
theory not specified dplot
Started By : Ac287
2 1147 Mar 22nd 10:18 am
Ac287
PBC geometry definition
Started By : Augolotti
0 685 Mar 21st 8:26 am
Augolotti
Is it possible to add pressure in qmd simulation?
Started By : Liuwanqi
0 571 Mar 15th 8:04 pm
Liuwanqi
Trouble with negative frequencies
Started By : ChemHunter
14 2409 Mar 14th 3:01 am
Sparks
TCE - DIIS
Started By : Masterluke
0 695 Mar 9th 11:16 am
Masterluke
Using python within nwchem to scan the geometry
Started By : Mkelley
6 2388 Mar 8th 2:46 am
Rpsahu151
Cannot allocate memory
Started By : Kyle
2 964 Mar 7th 10:53 am
Kyle
ccsd(t) problem
Started By : Miblyf
6 1507 Mar 4th 4:55 pm
Xiongyan21
TDDFT QMD with initial coordinates and velocities from different software
Started By : Salle008
4 1070 Feb 28th 6:50 pm
Edoapra
TCE restart on BlueGene/Q
Started By : Masterluke
10 1245 Feb 25th 7:18 pm
Xiongyan21
Visualization of Electric Field/Electron Density Calculations and other questions
Started By : Philly
0 853 Feb 23rd 1:00 pm
Philly
CCSD 2emet 9 returns error
Started By : Vladimir
5 1461 Feb 22nd 8:14 pm
Xiongyan21
CCSD(T) OpenMP Threads
Started By : Chiensh
4 1787 Feb 22nd 4:15 pm
Jhammond
TCE CCSD(T) fail when MCDRAM is cache mode
Started By : Chiensh
1 905 Feb 22nd 12:51 pm
Jhammond
Multithreading in NWChem
Started By : Thomasklau
1 960 Feb 22nd 12:48 pm
Jhammond

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 25891011121314Next 25Last



Who's here now Members 0 Guests 3 Bots/Crawler 6


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC