Running NWChem

Announcement's	Replies	Views	Last Action
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
Error running any job on cluster running Ubuntu 12.04	4	3532	Dec 27th 8:34 pm Flaregunhobo
SCF convergence failure using aug-cc-pvdz for pyrene molecule	1	2262	Dec 26th 12:01 pm Edoapra
A segmentation Violation error in the frequency analysis	7	4891	Dec 23rd 2:52 pm Futofuji
Setting ARMCI_DEFAULT_SHMMAX properly	5	5213	Dec 21st 2:12 am Martijn
polar first and polar scf in md	2	2059	Dec 19th 9:11 am Sacch
Reading Property Output	2	1832	Dec 11th 11:38 am Hhg
Is this a memory problem?	3	3550	Dec 10th 11:43 am Karol
CREOMSD(T) vs CCSDT	0	2144	Dec 7th 11:11 am Martijn
(SOLVED) Loading a (buggy?) geometry.	2	2357	Dec 5th 10:10 am Davis68
Memory/solver options for EOM-CCSDT	1	1893	Dec 4th 1:17 pm Bert
Strange behavior running parallel	7	8281	Dec 3rd 11:00 am Asa
NWCHEM runs with low %CPU	2	1943	Nov 29th 1:02 pm Ranez
Is this normal?	4	1889	Nov 26th 5:10 pm Dhaminah
An error occured while computing integrals?	1	2899	Nov 26th 12:42 pm Edoapra
Estimating parallel speedup	1	2027	Nov 26th 10:15 am Bert
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

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