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 253536373839Next 25Last
Thread Title Replies Views Last Action
Memory Consumption CISD/CCSD
3 2846 Jul 26th 1:08 am
Ch
IR-MP2 Calculation stops with error ival=10
4 5216 Jul 19th 4:06 pm
Johannes
restarting COSMO calculation
4 2281 Jul 18th 8:37 am
Martijn
Orbital swapping problem
8 3410 Jul 16th 5:46 pm
Bert
Run time error on multinode runs.
1 2210 Jul 16th 4:33 pm
Karol
grid_list: Too many quadrature shells
2 1777 Jul 2nd 3:19 pm
Vmeunier
On entry to DGEMM parameter number 3 had an illegal value
1 8534 Jul 2nd 2:25 pm
Bert
TDDFT restart in NWChem 6.1 - bgj_get_scf_dens: could not read mo vectors
3 2681 Jun 27th 2:48 pm
Niri
Counterpoise corrected MP2 optimization errors
0 2686 Jun 24th 3:07 am
Pollartp
Nwchem 6.1: Unable to open nwchem.nw --- appending .nw
7 4619 Jun 22nd 9:19 am
Bert
Change dielectric constant in gas-phase calculations
1 1943 Jun 20th 12:42 pm
Whoknows
tetrahedral distortion - why ?
2 4114 Jun 15th 11:07 am
Edward.deira
SODFT tutorial example failure.
3 2562 Jun 11th 2:09 pm
Bert
TCE: SF_READ_WAIT ERROR CODE = -1990
2 2123 May 22nd 2:43 pm
Cchang
B3P86 Functional
4 3417 May 20th 4:24 am
QuantumMenace
NWChem-6.1 compatibillity with glibc-2.15
2 2071 May 19th 1:01 am
Viktor
failed ga_create size=*********
2 4220 May 18th 2:19 pm
Karol
autoz generating too many bonds
1 2111 May 17th 12:40 pm
Bert
bad restart convergence
0 1292 May 12th 9:52 am
Zdm
problem with c-dft calculations
2 2285 May 12th 5:46 am
Shine
problem running with >3000 bqs (point charges)
8 2612 May 7th 5:04 pm
Niri
tddft fails
2 2430 May 1st 1:50 pm
Roo464
Can't run scf on water
0 2343 Apr 25th 3:11 pm
Dberry
Symmetry fudging
1 3549 Apr 25th 11:02 am
Bert
Memory problem on AIX
13 8044 Apr 25th 5:28 am
Lmentel

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 253536373839Next 25Last