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 2531323334353637Next 25Last
Thread Title Replies Views Last Action
nwchem binary on mac
0 2005 May 16th 1:33 am
Lorenzodona
How to engage more then one processor?
7 2966 May 14th 3:35 pm
Mehcwn
General technical issue about running nwchem job using computer clusters
1 2619 May 14th 6:30 am
Uew
cannot post a message
1 1692 May 13th 2:17 pm
Bert
DFT problem: Range-separated functionals failing to converge for C70 fullerene
7 3853 May 8th 1:07 pm
Kpelzer
task pspw optimize
0 1610 May 5th 12:06 pm
Makhyoun
test example of SiC optimization
1 3732 May 4th 9:14 am
Bylaska
NWChem 6.1.1 and Intel MPI with MKL
8 2901 May 2nd 3:42 pm
Edoapra
aoints files problem
1 2862 Apr 29th 9:38 am
Edoapra
error with examples jobs
3 2044 Apr 22nd 4:01 pm
Edoapra
Optimizations with multiple negative frequencies
1 4769 Apr 19th 4:33 pm
Bert
issues in setting Torsion for Geometry Adjust Zcoord
2 2371 Apr 17th 2:36 pm
Mime
Initial geometries for Nudged Elastic Band
0 1650 Apr 11th 9:51 pm
Adampelzer
Excited state geometry optimization
2 3005 Mar 28th 1:09 am
Manohar.awasthi
Running COSMO on NWChem, gathering energies for reaction coordinates
9 4033 Mar 22nd 9:04 am
Bert
Multiplicity problem
4 3019 Mar 15th 6:55 pm
Rui
ARMCI Errors with MKL ScaLAPACK
6 4656 Mar 15th 4:15 pm
Edoapra
Input Block 'String'
10 3981 Mar 12th 10:07 pm
Vladimir
GA memory error, large (RI-)MP2 job
3 2634 Mar 12th 12:23 pm
Bert
running NWCHEM on more than 80 nodes
1 1942 Mar 7th 11:52 am
Bert
Using NWChem as an external program
2 2347 Mar 6th 4:59 am
Stachon
Orphan processes in killed NWChem 6.1.1 job
7 2660 Mar 2nd 10:54 pm
Jwkeller
mp2 error
2 1984 Mar 1st 3:56 pm
Yangyue1209
test
4 1974 Feb 27th 3:24 am
Espent
Continue an interrupted Raman run
1 2293 Feb 25th 12:19 pm
Niri
calculations not reaching convergence criteria
1 4305 Feb 19th 11:48 am
Edoapra

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2531323334353637Next 25Last