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
How to engage more then one processor?	7	2964	May 14th 3:35 pm Mehcwn
General technical issue about running nwchem job using computer clusters	1	2617	May 14th 6:30 am Uew
cannot post a message	1	1690	May 13th 2:17 pm Bert
DFT problem: Range-separated functionals failing to converge for C70 fullerene	7	3851	May 8th 1:07 pm Kpelzer
task pspw optimize	0	1608	May 5th 12:06 pm Makhyoun
test example of SiC optimization	1	3730	May 4th 9:14 am Bylaska
NWChem 6.1.1 and Intel MPI with MKL	8	2899	May 2nd 3:42 pm Edoapra
aoints files problem	1	2860	Apr 29th 9:38 am Edoapra
error with examples jobs	3	2042	Apr 22nd 4:01 pm Edoapra
Optimizations with multiple negative frequencies	1	4767	Apr 19th 4:33 pm Bert
issues in setting Torsion for Geometry Adjust Zcoord	2	2369	Apr 17th 2:36 pm Mime
Initial geometries for Nudged Elastic Band	0	1648	Apr 11th 9:51 pm Adampelzer
Excited state geometry optimization	2	3003	Mar 28th 1:09 am Manohar.awasthi
Running COSMO on NWChem, gathering energies for reaction coordinates	9	4031	Mar 22nd 9:04 am Bert
Multiplicity problem	4	3017	Mar 15th 6:55 pm Rui
ARMCI Errors with MKL ScaLAPACK	6	4654	Mar 15th 4:15 pm Edoapra
Input Block 'String'	10	3979	Mar 12th 10:07 pm Vladimir
GA memory error, large (RI-)MP2 job	3	2632	Mar 12th 12:23 pm Bert
running NWCHEM on more than 80 nodes	1	1940	Mar 7th 11:52 am Bert
Using NWChem as an external program	2	2345	Mar 6th 4:59 am Stachon
Orphan processes in killed NWChem 6.1.1 job	7	2658	Mar 2nd 10:54 pm Jwkeller
mp2 error	2	1982	Mar 1st 3:56 pm Yangyue1209
test	4	1972	Feb 27th 3:24 am Espent
Continue an interrupted Raman run	1	2291	Feb 25th 12:19 pm Niri
calculations not reaching convergence criteria	1	4303	Feb 19th 11:48 am Edoapra

Forum >> NWChem's corner >> Running NWChem

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