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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	1781	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
6-311g(3d,3p) Started By : PhiJ	0	505	Sep 19th 4:50 am PhiJ
NWCHEM_BASIS_LIBRARY not defined in bin/nwdef.csh Started By : Guest -	4	2531	Sep 15th 9:01 pm Guest -
problem encountered when running prepare Started By : Wxu	6	742	Sep 7th 10:10 am Shmakov I. A.
Dielectric Properties at MP2 and CCSD(T) level of theory Started By : Guest -	5	602	Sep 6th 9:43 am Bert
basis libraries in nwchem Started By : Guest -	1	491	Sep 2nd 3:11 pm Bert
Fail to run 2 example jobs Started By : Chiensh	2	588	Aug 31st 9:38 am Guest -
Convergence of LR-CCSD calculation Started By : Vvgobre	2	317	Aug 23rd 11:24 am Vvgobre
NWPW Optimization Fail to Converge for a Tutorial Job Started By : Chiensh	3	526	Aug 19th 4:56 pm Guest -
ARMCI issues while running Started By : Ssk87	3	515	Aug 19th 3:21 pm Bert
Problem of running NWchem6.0 Started By : C00jsh00	1	428	Aug 16th 4:55 pm C00jsh00
Difficulties using the esp module Started By : Guest -	2	485	Aug 16th 9:39 am Guest -
ARMCI infiniband issues x86 intel Started By : Ssk87	4	731	Aug 9th 12:27 pm Ssk87
Breaking symmetry in DFT singlet state calculation Started By : Guest -	7	1084	Jul 26th 6:09 am Guest -
Input file for GaAs geometry optimization Started By : Guest -	10	644	Jul 18th 2:28 pm Bert
NWChem over Gigabit Ethernet Started By : Guest -	3	493	Jul 18th 2:08 pm Bert
CDFT Jobs Failing After Running for Several Days Started By : MCZoerb	1	629	Jul 6th 5:19 pm Bert
Armci error 260 cond:0 Started By : Annaj	12	2307	Jul 6th 3:24 pm Bert
dft scf convergence problem Started By : Guest -	1	475	Jun 27th 2:36 pm Niri
Welcome.. Started By : WikiSysop	2	397	Jun 9th 3:46 pm Marco.stenta
Bad scalability for PW and CPMD calculation on a SGI machine & a benchmark input is needed Started By : Chiensh	0	344	Jun 5th 7:15 pm Chiensh
ga_get2eri - cannot allocate buf error Started By : Guest -	2	1189	May 17th 10:44 am Guest -
Molecular dynamics example Started By : Diegoarmino	1	436	May 10th 2:49 pm Diegoarmino
Molecule explodes when running quantum (Born-Oppenheimer) molecular dynamics in parallel Started By : Diegoarmino	0	406	May 10th 12:05 pm Diegoarmino
Running NWCHEM on 2 processors Started By : Apacheco	0	707	May 10th 6:45 am Apacheco
QA test fail on the current SVN development version Started By : Guest -	1	498	May 5th 1:30 pm Bert

Forum >> NWChem's corner >> Running NWChem

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