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Thread Title	Replies	Views	Last Action	Forum
Segmentation fault Started By : Hanlonte	2	217	Feb 25th 11:02 am Edoapra	General Topics
ARMCI DASSERT fails when running NWCHEM on 512 cores Started By : As	1	332	Feb 19th 11:53 am Edoapra	General Topics
calculations not reaching convergence criteria Started By : Velyana	1	280	Feb 19th 11:48 am Edoapra	Running NWChem
"autosym failed..." Started By : Adampelzer	6	330	Feb 18th 8:17 pm Adampelzer	Running NWChem
NWChem GPU Modules Started By : Jean	3	480	Feb 12th 3:45 pm Edoapra	General Topics
NWChem 6.1.1: input.aoints.N files? Started By : Jwkeller	1	208	Feb 11th 11:19 am Edoapra	Running NWChem
Torque Started By : Wjb0920	5	349	Feb 9th 7:12 pm Wjb0920	Compiling NWChem
Linking Problems Started By : CoolEsza	5	575	Feb 8th 11:23 am Edoapra	Compiling NWChem
compilation problem Started By : Clusterix	1	385	Feb 8th 11:20 am Edoapra	Compiling NWChem
How to setup "ecp"? Started By : P99	1	188	Feb 8th 11:09 am Edoapra	General Topics
issues with M06-2X dispersion / aug-cc-pVTZ optimization Started By : Yangyue1209	10	328	Feb 7th 2:42 pm Yangyue1209	Running NWChem
Problem running nwchem in multiple processors Started By : Cebernardes	3	342	Feb 7th 12:50 pm Edoapra	Running NWChem
What is the default number of iterations for DFT job? Started By : Jwkeller	4	318	Feb 6th 11:18 am Jwkeller	Running NWChem
Compiling on IBM P775 Started By : Lukas Demovic	2	264	Feb 6th 1:11 am Lukas Demovic	Compiling NWChem
What are input.gridpts.n and can they be deleted? Started By : Jwkeller	1	214	Feb 4th 1:28 pm Edoapra	Running NWChem
gaussian cubes with multiple orbitals Started By : Ddcr	1	253	Jan 25th 3:07 pm Edoapra	Running NWChem
Are these definitions correct for the functionals I am trying to define? Started By : Beulahsu	6	486	Jan 24th 7:01 pm Niri	General Topics
CDFT: Unable to improve the multipliers 0 Started By : Bbob79	7	380	Jan 21st 12:11 pm Edoapra	Running NWChem
Fractional occupation Started By : Vhs	2	325	Jan 21st 6:23 am Vhs	General Topics
A segmentation Violation error in the frequency analysis Started By : Futofuji	5	517	Jan 20th 6:34 pm Futofuji	Running NWChem
Compiling with i4 instead of i8 on 64-bit machine Started By : Logsdail	8	411	Jan 18th 5:16 pm Logsdail	Compiling NWChem
O3LYP and LC-wPBE give different results from G09 Started By : Beulahsu	3	708	Jan 17th 1:42 am Beulahsu	General Topics
memory problem for running CCSD(T) jobs Started By : Zfang	5	616	Jan 14th 9:20 am Edoapra	Running NWChem
Linking NWChem against Intel's MKL Started By : DouDou	5	592	Jan 4th 10:42 am DouDou	Compiling NWChem
Error running any job on cluster running Ubuntu 12.04 Started By : Flaregunhobo	4	476	Dec 27th 8:34 pm Flaregunhobo	Running NWChem
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