Running NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Strange behavior running parallel
7 8278 Dec 3rd 11:00 am
Asa
NWCHEM runs with low %CPU
2 1940 Nov 29th 1:02 pm
Ranez
Is this normal?
4 1886 Nov 26th 5:10 pm
Dhaminah
An error occured while computing integrals?
1 2896 Nov 26th 12:42 pm
Edoapra
Estimating parallel speedup
1 2024 Nov 26th 10:15 am
Bert
Is there a systematic way of finding out how much memory is needed?
10 5619 Nov 25th 2:55 am
Yesint
memory demand
2 2073 Nov 22nd 12:05 am
Clusterix
ECPs - Am I doing it right?
2 4503 Nov 21st 11:17 am
Andrew.yeung
createfile: failed ga_create size=*********
7 3475 Nov 20th 2:37 pm
Dhaminah
Different number of steps for the same job
3 2104 Nov 20th 10:46 am
Edoapra
Mismatch of integral count in ecp_hessian
2 2022 Nov 19th 6:26 pm
Edoapra
Strange results with m06-2x...
9 4666 Nov 19th 11:01 am
Huub
CPi files PAW
0 1911 Nov 19th 2:39 am
Gd
memory problem in parallel running "ARMCI DASSERT fail"
9 11776 Nov 16th 12:52 pm
Karol
constrained minimizations (bond length scans)
1 3480 Nov 16th 12:42 pm
Huub
Specify scratch disk for ccCA?
5 2291 Nov 16th 12:10 pm
Andrew.yeung
Running Parallel NWChem on Linux Workstation
8 6298 Nov 15th 4:17 pm
Dhaminah
increased electronic coupling with increased distance (weired, anything wrong)
1 1826 Nov 14th 3:40 pm
Bert
Do I have an imaginary frequency?
3 6816 Nov 13th 1:22 pm
Edoapra
nwpw optimization wrong
5 2991 Nov 13th 12:13 am
Jbaltrus
unit cell size doubles
2 2827 Nov 10th 3:06 am
Jbaltrus
ccCA calculation failures?
4 2574 Nov 8th 12:50 pm
Andrew.yeung
nopen for biradical singlet
1 1858 Nov 5th 2:19 pm
Edoapra
Why the keyword noscf didn't work?
3 2186 Oct 31st 9:09 am
Bert
problem with forcing c2h symmetry
4 4119 Oct 31st 8:59 am
Eberardo

Forum >> NWChem's corner >> Running NWChem
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