Running NWChem

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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

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Thread Title Replies Views Last Action
rsolv for water in "cosmo"
2 2112 Aug 21st 11:50 pm
Yjleedaniel
Atomic Charges from Car-Parrinello
0 1741 Aug 12th 4:51 pm
Dbinion
NWChem computation: multi-CPU run never converges
4 5017 Aug 6th 3:38 am
Jeronimo
NWChem Slower with Multithreading?
1 2326 Aug 2nd 10:53 am
Edoapra
Running a Parallel Job
7 3475 Aug 1st 12:52 pm
DouDou
Runtime database errors
3 2912 Jul 30th 11:07 am
Edoapra
Memory Consumption CISD/CCSD
3 2847 Jul 26th 1:08 am
Ch
IR-MP2 Calculation stops with error ival=10
4 5217 Jul 19th 4:06 pm
Johannes
restarting COSMO calculation
4 2282 Jul 18th 8:37 am
Martijn
Orbital swapping problem
8 3411 Jul 16th 5:46 pm
Bert
Run time error on multinode runs.
1 2211 Jul 16th 4:33 pm
Karol
grid_list: Too many quadrature shells
2 1778 Jul 2nd 3:19 pm
Vmeunier
On entry to DGEMM parameter number 3 had an illegal value
1 8535 Jul 2nd 2:25 pm
Bert
TDDFT restart in NWChem 6.1 - bgj_get_scf_dens: could not read mo vectors
3 2682 Jun 27th 2:48 pm
Niri
Counterpoise corrected MP2 optimization errors
0 2687 Jun 24th 3:07 am
Pollartp
Nwchem 6.1: Unable to open nwchem.nw --- appending .nw
7 4620 Jun 22nd 9:19 am
Bert
Change dielectric constant in gas-phase calculations
1 1944 Jun 20th 12:42 pm
Whoknows
tetrahedral distortion - why ?
2 4115 Jun 15th 11:07 am
Edward.deira
SODFT tutorial example failure.
3 2563 Jun 11th 2:09 pm
Bert
TCE: SF_READ_WAIT ERROR CODE = -1990
2 2124 May 22nd 2:43 pm
Cchang
B3P86 Functional
4 3418 May 20th 4:24 am
QuantumMenace
NWChem-6.1 compatibillity with glibc-2.15
2 2072 May 19th 1:01 am
Viktor
failed ga_create size=*********
2 4221 May 18th 2:19 pm
Karol
autoz generating too many bonds
1 2112 May 17th 12:40 pm
Bert
bad restart convergence
0 1293 May 12th 9:52 am
Zdm

Forum >> NWChem's corner >> Running NWChem
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