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Thread Title	Replies	Views	Last Action	Forum
run ccsdt error Started By : Yangli12	7	717	Jan 13th 9:05 pm Xiongyan21	Running NWChem
* Started By : Isabelleapo	4	599	Jan 12th 6:13 am Xiongyan21	Running NWChem
Which keyword let qmmm_freq.nw restart? Started By : Xiongyan21	2	311	Jan 8th 10:14 am Edoapra	Running NWChem
Does NWCHEM need an additional MKL Started By : Xiongyan21	2	390	Jan 5th 3:41 pm Xiongyan21	Compiling NWChem
NWChem NMR calculation fails with "get_dia: nga_create failed g_h11 all " error message Started By : Tatireddy	2	424	Nov 10th 8:55 pm Xiongyan21	Running NWChem
CREOMSD(T) with 1000 basis functions - recommendations Started By : Mdsimulationgroup	1	387	Oct 2nd 7:28 pm Xiongyan21	Running NWChem
COSMO directive failing in NWChem Revision 29289 Started By : Lrdev	3	1396	Sep 14th 6:30 pm Xiongyan21	NWChem functionality
DFT optimized failed and Bad termination exit code 255 Started By : Sophia.sagala	4	660	Aug 20th 9:52 am Jwkeller	Running NWChem
rt-TDDFT and OCCUP Started By : Andreas	8	8227	Aug 20th 5:12 am Xiongyan21	General Topics
DFT: Convergence issue CH4 Started By : Mbarbry	4	556	Jun 25th 4:50 pm Edoapra	Running NWChem
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue Started By : Srhhh	14	969	Jun 22nd 8:06 pm Xiongyan21	Running NWChem
tce cuda Started By : Faklerus	3	585	May 30th 2:49 am Xiongyan21	Running NWChem
Dummy atoms directive in NWChem Started By : Neo	6	1603	May 10th 10:03 pm Neo	Running NWChem
Molecular (hyper)polarizability Started By : Cma46	2	1011	May 4th 4:53 pm Xiongyan21	NWChem functionality
Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2 Started By : Xiongyan21	1	777	Apr 6th 6:23 pm Xiongyan21	Compiling NWChem
ccsd(t) problem Started By : Miblyf	6	1114	Mar 4th 3:55 pm Xiongyan21	Running NWChem
TCE restart on BlueGene/Q Started By : Masterluke	10	1014	Feb 25th 6:18 pm Xiongyan21	Running NWChem
CCSD 2emet 9 returns error Started By : Vladimir	5	1215	Feb 22nd 7:14 pm Xiongyan21	Running NWChem
X + COSMO Started By : P99	3	931	Feb 20th 2:47 am Xiongyan21	Feedback
instruction for carrying out UHF calculations of H2 molecule Started By : Ypwang	2	900	Jan 30th 8:23 pm Ypwang	General Topics
Dunning's aug-cc basis set convergence Started By : Amalbavera	5	1023	Jan 16th 3:24 pm Amalbavera	Running NWChem
Ubuntu Root Password Blocks Running NWChem6.8 Started By : Xiongyan21	1	816	Jan 14th 1:00 am Xiongyan21	Compiling NWChem
nwxc_input is not in this build of NWChem Started By : Xiongyan21	1	643	Jan 11th 10:53 pm Xiongyan21	Running NWChem
An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10 Started By : Xiongyan21	1	1051	Jan 11th 5:34 am Xiongyan21	Compiling NWChem
Convergence problems with Au cluster1 2 Started By : Alessandro.chiesa	19	7089	Jan 8th 8:28 pm Xiongyan21	Running NWChem
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10 Started By : Xiongyan21	8	2395	Dec 6th 5:15 am Xiongyan21	Compiling NWChem
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