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
movecs_fragment: open shell mismatch	1	2740	Apr 9th 12:07 am Huub
TCE Frequencies calculation	1	1790	Apr 8th 11:51 pm Huub
MCSCF calculation of a lithium triplet dimer (edited on April 7th)	1	2969	Apr 8th 11:40 pm Huub
error related to the specified geometry	1	2971	Apr 2nd 10:37 am Niri
parallel crash	2	1712	Mar 22nd 3:40 pm Sollebac
Car-Parinello Run Error	1	1317	Mar 18th 9:26 am Edoapra
PSPW input for geometry optimization	0	1344	Mar 17th 11:29 am Aggie2015
"sym_geom_project: sym_center_map is inconsistent with requested accuracy" Error	3	2607	Mar 15th 9:36 am Mhiranya
XYZ output from Stepper	1	1544	Mar 13th 8:28 am Edoapra
Geometry optimization with frozen atom	2	1905	Mar 13th 2:32 am Guillaume
Simulation cell error (posted by Aggie2015)	1	2602	Mar 10th 3:37 pm Edoapra
Can not run metadynamic using nwchem.6.3.2013-05-28 Maybe a bug	1	1452	Feb 20th 6:07 pm Lyzhao
PSPW_dplot shifting coordinates	0	1209	Feb 20th 2:09 pm Nickcc20
MP2 on BlueGene/Q BGP - scaling, crashes and the rest	0	1527	Feb 13th 3:13 am Cdhogan
How to bring wall time closer to cpu time	2	3107	Feb 12th 2:12 pm Mlee33
pnga_create_config:ga_set_data:wrong dimension specified	2	2490	Feb 9th 8:19 pm Kmh603
error on single point unrestricted dft calculation	1	1857	Jan 28th 11:24 am Edoapra
I get error message 'Numerical result out of range' after 8-9 ours running	2	5923	Jan 26th 7:51 pm Luisjromero
How to calculate electrostatic potential map?	0	1573	Jan 26th 7:45 pm Luisjromero
runtime error when running nwchem	2	1907	Jan 23rd 4:54 pm Tpirojsi
On entry to DLASCL parameter number 5 had an illegal value	0	5831	Jan 17th 2:55 am Harsh Somani
how to convert memory in bytes or words to memory in MA or GA ?	4	3286	Jan 15th 12:37 pm Edoapra
Is it possible to run NWChem on a provider's server?	1	1454	Jan 10th 8:07 pm Mernst
How to visualize the trjactory generated by NWChem	6	5313	Jan 4th 10:51 pm Nfrik
Problem runing simple imput example	0	1371	Dec 20th 7:50 am Victorero
Raman test fails	2	2021	Dec 20th 4:48 am Manohar.awasthi

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2527282930313233Next 25Last