Running NWChem

From NWChem

Topics related to running NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
bse.pnl.gov replaced by www.basissetexchange.org. Forum closed
Started By : Edoapra
0 233 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2750 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2525262728293031Next 25Last
Thread Title Replies Views Last Action
How to calculate electrostatic potential map?
Started By : Luisjromero
0 1351 Jan 26th 7:45 pm
Luisjromero
runtime error when running nwchem
Started By : Tpirojsi
2 1680 Jan 23rd 4:54 pm
Tpirojsi
On entry to DLASCL parameter number 5 had an illegal value
Started By : Harsh Somani
0 4845 Jan 17th 2:55 am
Harsh Somani
how to convert memory in bytes or words to memory in MA or GA ?
Started By : Edrisse.chermak
4 2853 Jan 15th 12:37 pm
Edoapra
Is it possible to run NWChem on a provider's server?
Started By : Smcclure
1 1288 Jan 10th 8:07 pm
Mernst
How to visualize the trjactory generated by NWChem
Started By : Wjb0920
6 4691 Jan 4th 10:51 pm
Nfrik
Problem runing simple imput example
Started By : Victorero
0 1254 Dec 20th 7:50 am
Victorero
Raman test fails
Started By : Manohar.awasthi
2 1798 Dec 20th 4:48 am
Manohar.awasthi
CISDTQ not compiled 0 ??
Started By : Barborini
2 1633 Dec 19th 11:43 am
Edoapra
uninterruptible sleep in the calculations
Started By : Skipper
2 1373 Dec 18th 7:50 pm
Skipper
Problem with exporting Pseudopotential libraries
Started By : Sravankumarkb
1 1539 Dec 6th 4:18 pm
Huub
Running MRCC
Started By : Thechuckman
1 1617 Dec 4th 10:32 am
Edoapra
Pneb_w_diag: ZHEEV failed
Started By : Jbaltrus
1 1842 Dec 1st 8:03 pm
Tholme
Problems using cgmin with COSMO and also with charge density fitting.
Started By : Rmera
0 1679 Nov 28th 5:40 am
Rmera
swapping alphas with betas
Started By : Adampelzer
2 1385 Nov 27th 8:35 pm
Adampelzer
clearing shared memory from unterminated processes
Started By : Tpirojsi
3 12234 Nov 27th 12:49 pm
Tpirojsi
parameter ot of range in legendre_lm
Started By : Jbaltrus
0 1383 Nov 22nd 9:43 am
Jbaltrus
units of cutoff in NWPW
Started By : Jbaltrus
0 1349 Nov 22nd 4:58 am
Jbaltrus
Input file errors; unexplained error messages
Started By : Tholme
2 1871 Nov 19th 1:22 pm
Tholme
qmmm fep and qmmm NEB modules failed in nwchem 6.3
Started By : Tpirojsi
0 1612 Nov 12th 12:27 am
Tpirojsi
Suggested values for ewald_ncut and ewald_rcut
Started By : Tholme
0 1390 Nov 9th 1:46 pm
Tholme
getting started with NWCHEM
Started By : Freddy
4 1370 Nov 6th 6:13 am
Freddy
CPHF error: "could not allocate g_fock 555"
Started By : DaniilKh
2 2009 Nov 5th 12:34 am
DaniilKh
Nwchem is different from molpro in HF calculation about small atoms
Started By : Sunnybunny
0 1140 Nov 2nd 3:25 am
Sunnybunny
error "geom_input: too many centers? 3000"
Started By : Tchantaw
1 1457 Nov 1st 9:33 am
Edoapra

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2525262728293031Next 25Last



Who's here now Members 0 Guests 7 Bots/Crawler 13


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