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

Jump to page 1Prev 2533343536373839Next 25Last
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
Jump to page 1Prev 2533343536373839Next 25Last