Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 494 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 25
Thread Title Replies Views Last Action
DFT optimization error for dimers and Platonic solid
Started By : Shmakov I. A.
0 2704 Jan 21st 8:37 am
Shmakov I. A.
geom_rtdb_load: not found or rtdb corrupt
Started By : Xiaoshu
1 2730 Jan 11th 4:10 pm
Guest -
Scaling of processor vs. number of atoms
Started By : Ram
3 2431 Jan 11th 4:01 pm
Bert
how to read in the result MO from the last calculation?
Started By : Guest -
5 2166 Jan 11th 3:46 pm
Bert
Regarding running nwchem
Started By : Deepak1032
3 2412 Jan 8th 11:46 pm
Shmakov I. A.
Specifying regions for QMMM calculations
Started By : Antimon
1 1529 Jan 7th 1:18 pm
Antimon
how to print out the force related to each atom
Started By : Dulikai
1 1644 Dec 25th 5:33 pm
Dulikai
How do nwchem parallel run on a single machine
Started By : Javacfish
3 4173 Dec 1st 2:28 pm
Bert
Odd correlation energies for RI-MP2 calculations
Started By : Guest -
13 4713 Nov 24th 9:53 am
Guest -
charges embedding
Started By : Guest -
2 1814 Nov 21st 2:58 pm
Guest -
Convergence criteria for geometry optimization with B3LYP
Started By : Ram
3 10234 Nov 19th 4:28 pm
Ram
Run parallel
Started By : Guest -
2 1873 Nov 11th 2:19 am
Guest -
An error occured in the Runtime Database
Started By : Mnahali
4 6033 Nov 9th 12:05 pm
Mnahali
NP grid error
Started By : SurfStudent
1 2025 Nov 8th 1:23 pm
Bert
A number of the QA tests fail
Started By : Guest -
1 2316 Nov 4th 3:09 pm
Bert
formaldehyde results
Started By : Annaj
2 2094 Nov 2nd 10:14 am
Annaj
Endless TCGMSG run
Started By : Guest -
2 2335 Oct 28th 4:53 pm
Bert
MPI Error
Started By : Guest -
1 1912 Oct 18th 10:37 am
Guest -

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 25



Who's here now Members 0 Guests 1 Bots/Crawler 11


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC