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 2527282930313233Next 25Last
Thread Title Replies Views Last Action
MCSCF calculation of a lithium triplet dimer (edited on April 7th)
1 2968 Apr 8th 11:40 pm
Huub
error related to the specified geometry
1 2970 Apr 2nd 10:37 am
Niri
parallel crash
2 1711 Mar 22nd 3:40 pm
Sollebac
Car-Parinello Run Error
1 1316 Mar 18th 9:26 am
Edoapra
PSPW input for geometry optimization
0 1343 Mar 17th 11:29 am
Aggie2015
"sym_geom_project: sym_center_map is inconsistent with requested accuracy" Error
3 2606 Mar 15th 9:36 am
Mhiranya
XYZ output from Stepper
1 1543 Mar 13th 8:28 am
Edoapra
Geometry optimization with frozen atom
2 1904 Mar 13th 2:32 am
Guillaume
Simulation cell error (posted by Aggie2015)
1 2601 Mar 10th 3:37 pm
Edoapra
Can not run metadynamic using nwchem.6.3.2013-05-28 Maybe a bug
1 1451 Feb 20th 6:07 pm
Lyzhao
PSPW_dplot shifting coordinates
0 1208 Feb 20th 2:09 pm
Nickcc20
MP2 on BlueGene/Q BGP - scaling, crashes and the rest
0 1526 Feb 13th 3:13 am
Cdhogan
How to bring wall time closer to cpu time
2 3106 Feb 12th 2:12 pm
Mlee33
pnga_create_config:ga_set_data:wrong dimension specified
2 2489 Feb 9th 8:19 pm
Kmh603
error on single point unrestricted dft calculation
1 1856 Jan 28th 11:24 am
Edoapra
I get error message 'Numerical result out of range' after 8-9 ours running
2 5922 Jan 26th 7:51 pm
Luisjromero
How to calculate electrostatic potential map?
0 1572 Jan 26th 7:45 pm
Luisjromero
runtime error when running nwchem
2 1906 Jan 23rd 4:54 pm
Tpirojsi
On entry to DLASCL parameter number 5 had an illegal value
0 5830 Jan 17th 2:55 am
Harsh Somani
how to convert memory in bytes or words to memory in MA or GA ?
4 3285 Jan 15th 12:37 pm
Edoapra
Is it possible to run NWChem on a provider's server?
1 1453 Jan 10th 8:07 pm
Mernst
How to visualize the trjactory generated by NWChem
6 5312 Jan 4th 10:51 pm
Nfrik
Problem runing simple imput example
0 1370 Dec 20th 7:50 am
Victorero
Raman test fails
2 2020 Dec 20th 4:48 am
Manohar.awasthi
CISDTQ not compiled 0 ??
2 1923 Dec 19th 11:43 am
Edoapra
uninterruptible sleep in the calculations
2 1547 Dec 18th 7:50 pm
Skipper

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2527282930313233Next 25Last