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
gaussian cubes with multiple orbitals	1	1887	Jan 25th 3:07 pm Edoapra
Forcing DFT closed-shell calculation	2	2259	Jan 25th 1:02 pm Ddcr
CDFT: Unable to improve the multipliers 0	7	4633	Jan 21st 12:11 pm Edoapra
NWCHEM fails to run on multiple nodes	12	6652	Jan 17th 11:30 am Mef362
transition state searchin	2	4874	Jan 16th 10:30 am Bylaska
memory problem for running CCSD(T) jobs	5	3558	Jan 14th 9:20 am Edoapra
int2e_test_mem: int2e_file_open failed 0	5	2439	Jan 11th 1:41 pm Bert
Running COSMO for acetone as the solvent	1	2618	Jan 2nd 11:04 am Bert
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

Forum >> NWChem's corner >> Running NWChem

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