Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1367 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 253031323334Next 25Last
Thread Title Replies Views Last Action
Memory Consumption CISD/CCSD
Started By : Ch
3 2422 Jul 26th 1:08 am
Ch
IR-MP2 Calculation stops with error ival=10
Started By : Johannes
4 4809 Jul 19th 4:06 pm
Johannes
restarting COSMO calculation
Started By : Martijn
4 1893 Jul 18th 8:37 am
Martijn
Orbital swapping problem
Started By : Bock788
8 2852 Jul 16th 5:46 pm
Bert
Run time error on multinode runs.
Started By : Perera
1 1953 Jul 16th 4:33 pm
Karol
grid_list: Too many quadrature shells
Started By : Vmeunier
2 1515 Jul 2nd 3:19 pm
Vmeunier
On entry to DGEMM parameter number 3 had an illegal value
Started By : Lmyiop
1 6640 Jul 2nd 2:25 pm
Bert
TDDFT restart in NWChem 6.1 - bgj_get_scf_dens: could not read mo vectors
Started By : Martijn
3 2198 Jun 27th 2:48 pm
Niri
Counterpoise corrected MP2 optimization errors
Started By : Pollartp
0 2380 Jun 24th 3:07 am
Pollartp
Nwchem 6.1: Unable to open nwchem.nw --- appending .nw
Started By : Lmyiop
7 3830 Jun 22nd 9:19 am
Bert
Change dielectric constant in gas-phase calculations
Started By : Whoknows
1 1650 Jun 20th 12:42 pm
Whoknows
tetrahedral distortion - why ?
Started By : Edward.deira
2 3733 Jun 15th 11:07 am
Edward.deira
SODFT tutorial example failure.
Started By : Davis68
3 2149 Jun 11th 2:09 pm
Bert
TCE: SF_READ_WAIT ERROR CODE = -1990
Started By : Cchang
2 1826 May 22nd 2:43 pm
Cchang
B3P86 Functional
Started By : QuantumMenace
4 2761 May 20th 4:24 am
QuantumMenace
NWChem-6.1 compatibillity with glibc-2.15
Started By : Viktor
2 1766 May 19th 1:01 am
Viktor
failed ga_create size=*********
Started By : Adam
2 3861 May 18th 2:19 pm
Karol
autoz generating too many bonds
Started By : Bockisch
1 1797 May 17th 12:40 pm
Bert
bad restart convergence
Started By : Zdm
0 1095 May 12th 9:52 am
Zdm
problem with c-dft calculations
Started By : Tanguy.vr
2 1966 May 12th 5:46 am
Shine
problem running with >3000 bqs (point charges)
Started By : Dkanan
8 2329 May 7th 5:04 pm
Niri
tddft fails
Started By : Roo464
2 1984 May 1st 1:50 pm
Roo464
Can't run scf on water
Started By : Dberry
0 1942 Apr 25th 3:11 pm
Dberry
Symmetry fudging
Started By : Martijn
1 2983 Apr 25th 11:02 am
Bert
Memory problem on AIX
Started By : Lmentel
13 6439 Apr 25th 5:28 am
Lmentel

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 253031323334Next 25Last



Who's here now Members 0 Guests 4 Bots/Crawler 6


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC