Running NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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Edoapra

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Specify scratch disk for ccCA?
5 2294 Nov 16th 12:10 pm
Andrew.yeung
Running Parallel NWChem on Linux Workstation
8 6301 Nov 15th 4:17 pm
Dhaminah
increased electronic coupling with increased distance (weired, anything wrong)
1 1829 Nov 14th 3:40 pm
Bert
Do I have an imaginary frequency?
3 6819 Nov 13th 1:22 pm
Edoapra
nwpw optimization wrong
5 2994 Nov 13th 12:13 am
Jbaltrus
unit cell size doubles
2 2830 Nov 10th 3:06 am
Jbaltrus
ccCA calculation failures?
4 2577 Nov 8th 12:50 pm
Andrew.yeung
nopen for biradical singlet
1 1861 Nov 5th 2:19 pm
Edoapra
Why the keyword noscf didn't work?
3 2189 Oct 31st 9:09 am
Bert
problem with forcing c2h symmetry
4 4122 Oct 31st 8:59 am
Eberardo
Running NWChem in parallel
5 5648 Oct 25th 3:52 pm
Hhg
createfile: failed ga_create size=*********
0 2456 Oct 24th 7:31 am
Martijn
EOM-CCSD problem, all excitation energies go to zero
2 1831 Oct 24th 7:25 am
Martijn
Error in NWChem Analysis Module
2 2286 Oct 23rd 6:38 pm
Wjb0920
NAN occurred in NWchem example simulation
2 1902 Oct 23rd 6:37 pm
Wjb0920
Nwchem 6.1 TCE error "tce_hash: key not found 0"
1 2286 Oct 19th 8:14 am
Karol
cyclic constraints
1 1420 Oct 19th 1:48 am
Lixin
problem encountered when running prepare
8 4180 Oct 18th 8:29 pm
Marat
Load of old vectors failed
9 3296 Oct 18th 7:02 pm
Niri
difference of job size
5 2475 Oct 9th 9:11 am
Zfang
SOLVED PDOS f electron state density zero.
3 2915 Oct 9th 7:21 am
Davis68
A trouble with CCSD(T)
1 2326 Oct 3rd 9:08 am
Edoapra
CreateSharedRegion: kr_malloc Numerical result out of range
13 6214 Oct 2nd 11:47 am
Edoapra
Geometry not changing/local energy minima?
0 1572 Oct 1st 10:10 am
Bockisch
Running a test (beginer)
2 2558 Sep 24th 2:55 pm
Edoapra
EOM-CCSDT right-hand side iterations ga_create failure
5 5504 Sep 24th 10:39 am
Edoapra

Forum >> NWChem's corner >> Running NWChem
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