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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	2526	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
rodft and range separated-functional Started By : Goose99	3	34	May 24th 7:51 pm Goose99
electronic coupling from CDFT Started By : Tiechong	9	436	May 17th 3:39 pm Bert
error running NWCHEM on mac book pro Started By : Lorenzodona	0	20	May 17th 4:47 am Lorenzodona
Fail to run 2 example jobs Started By : Chiensh	13	1097	May 17th 12:36 am Viktor
CCSD(T) issues with NWChem 6.1.1 Started By : Bert	6	79	May 16th 11:29 pm Uew
nwchem binary on mac Started By : Lorenzodona	0	18	May 16th 1:33 am Lorenzodona
How to engage more then one processor? Started By : Mehcwn	7	97	May 14th 3:35 pm Mehcwn
General technical issue about running nwchem job using computer clusters Started By : Wl	1	50	May 14th 6:30 am Uew
cannot post a message Started By : Uew	1	36	May 13th 2:17 pm Bert
DFT problem: Range-separated functionals failing to converge for C70 fullerene Started By : Kpelzer	7	98	May 8th 1:07 pm Kpelzer
MP2 Correlation energy too big Started By : Vladimir	1	107	May 6th 6:54 am Vladimir
task pspw optimize Started By : Makhyoun	0	68	May 5th 12:06 pm Makhyoun
test example of SiC optimization Started By : Zhdsheng	1	76	May 4th 9:14 am Bylaska
NWChem 6.1.1 and Intel MPI with MKL Started By : Aaronbergstrom	8	135	May 2nd 3:42 pm Edoapra
aoints files problem Started By : Winterzen	1	100	Apr 29th 9:38 am Edoapra
How to bring wall time closer to cpu time Started By : Sergei	1	144	Apr 23rd 9:58 am Bert
error with examples jobs Started By : Maurorodas	3	143	Apr 22nd 4:01 pm Edoapra
Optimizations with multiple negative frequencies Started By : TMD IUP	1	121	Apr 19th 4:33 pm Bert
issues in setting Torsion for Geometry Adjust Zcoord Started By : Mime	2	137	Apr 17th 2:36 pm Mime
Initial geometries for Nudged Elastic Band Started By : Adampelzer	0	97	Apr 11th 9:51 pm Adampelzer
Convergence issues Started By : Bert	5	254	Mar 28th 2:35 am Thomas
Excited state geometry optimization Started By : Manohar.awasthi	2	150	Mar 28th 1:09 am Manohar.awasthi
Running COSMO on NWChem, gathering energies for reaction coordinates Started By : TMD IUP	9	379	Mar 22nd 9:04 am Bert
Multiplicity problem Started By : Rui	4	239	Mar 15th 6:55 pm Rui
ARMCI Errors with MKL ScaLAPACK Started By : 11bolts	6	245	Mar 15th 4:15 pm Edoapra

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