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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Thread Title	Replies	Views	Last Action
Is there a systematic way of finding out how much memory is needed?	10	5622	Nov 25th 2:55 am Yesint
memory demand	2	2076	Nov 22nd 12:05 am Clusterix
ECPs - Am I doing it right?	2	4506	Nov 21st 11:17 am Andrew.yeung
createfile: failed ga_create size=*********	7	3478	Nov 20th 2:37 pm Dhaminah
Different number of steps for the same job	3	2107	Nov 20th 10:46 am Edoapra
Mismatch of integral count in ecp_hessian	2	2025	Nov 19th 6:26 pm Edoapra
Strange results with m06-2x...	9	4669	Nov 19th 11:01 am Huub
CPi files PAW	0	1914	Nov 19th 2:39 am Gd
memory problem in parallel running "ARMCI DASSERT fail"	9	11779	Nov 16th 12:52 pm Karol
constrained minimizations (bond length scans)	1	3483	Nov 16th 12:42 pm Huub
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

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