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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	2526	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
ARMCI Errors with MKL ScaLAPACK Started By : 11bolts	6	245	Mar 15th 4:15 pm Edoapra
Input Block 'String' Started By : Yangyue1209	10	284	Mar 12th 10:07 pm Vladimir
GA memory error, large (RI-)MP2 job Started By : Pollartp	3	243	Mar 12th 12:23 pm Bert
running NWCHEM on more than 80 nodes Started By : Yangyue1209	1	231	Mar 7th 11:52 am Bert
Using NWChem as an external program Started By : Stachon	2	211	Mar 6th 4:59 am Stachon
Orphan processes in killed NWChem 6.1.1 job Started By : Jwkeller	7	248	Mar 2nd 10:54 pm Jwkeller
mp2 error Started By : Yangyue1209	2	154	Mar 1st 3:56 pm Yangyue1209
test Started By : Espent	4	241	Feb 27th 3:24 am Espent
TCE runs fail for ROHF MP2 Started By : AndrewW	2	221	Feb 26th 2:16 pm AndrewW
Continue an interrupted Raman run Started By : Afonari	1	226	Feb 25th 12:19 pm Niri
How to visualize the trjactory generated by NWChem Started By : Wjb0920	3	415	Feb 22nd 5:02 am Wjb0920
calculations not reaching convergence criteria Started By : Velyana	1	218	Feb 19th 11:48 am Edoapra
"autosym failed..." Started By : Adampelzer	6	292	Feb 18th 8:17 pm Adampelzer
TDDFT and D2H Started By : Martijn	1	194	Feb 13th 11:44 am Niri
NWChem 6.1.1: input.aoints.N files? Started By : Jwkeller	1	173	Feb 11th 11:19 am Edoapra
issues with M06-2X dispersion / aug-cc-pVTZ optimization Started By : Yangyue1209	10	284	Feb 7th 2:42 pm Yangyue1209
Problem running nwchem in multiple processors Started By : Cebernardes	3	280	Feb 7th 12:50 pm Edoapra
What is the default number of iterations for DFT job? Started By : Jwkeller	4	275	Feb 6th 11:18 am Jwkeller
What are input.gridpts.n and can they be deleted? Started By : Jwkeller	1	181	Feb 4th 1:28 pm Edoapra
gaussian cubes with multiple orbitals Started By : Ddcr	1	217	Jan 25th 3:07 pm Edoapra
Forcing DFT closed-shell calculation Started By : Ddcr	2	248	Jan 25th 1:02 pm Ddcr
CDFT: Unable to improve the multipliers 0 Started By : Bbob79	7	321	Jan 21st 12:11 pm Edoapra
A segmentation Violation error in the frequency analysis Started By : Futofuji	5	448	Jan 20th 6:34 pm Futofuji
NWCHEM fails to run on multiple nodes Started By : Mef362	12	506	Jan 17th 11:30 am Mef362
transition state searchin Started By : Edward.deira	2	323	Jan 16th 10:30 am Bylaska

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