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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	2601	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
NAN occurred in NWchem example simulation Started By : Wjb0920	2	357	Oct 23rd 6:37 pm Wjb0920
Nwchem 6.1 TCE error "tce_hash: key not found 0" Started By : Obm	1	412	Oct 19th 8:14 am Karol
cyclic constraints Started By : Lixin	1	196	Oct 19th 1:48 am Lixin
problem encountered when running prepare Started By : Wxu	8	1244	Oct 18th 8:29 pm Marat
Load of old vectors failed Started By : Chloe	9	450	Oct 18th 7:02 pm Niri
difference of job size Started By : Zfang	5	337	Oct 9th 9:11 am Zfang
SOLVED PDOS f electron state density zero. Started By : Davis68	3	477	Oct 9th 7:21 am Davis68
A trouble with CCSD(T) Started By : Iwatasuehiro	1	264	Oct 3rd 9:08 am Edoapra
CreateSharedRegion: kr_malloc Numerical result out of range Started By : DBauer	13	1061	Oct 2nd 11:47 am Edoapra
Geometry not changing/local energy minima? Started By : Bockisch	0	175	Oct 1st 10:10 am Bockisch
Running a test (beginer) Started By : Spring	2	310	Sep 24th 2:55 pm Edoapra
EOM-CCSDT right-hand side iterations ga_create failure Started By : Jeronimo	5	566	Sep 24th 10:39 am Edoapra
restarting VSCF calculation Started By : Jdf	0	238	Sep 17th 10:43 am Jdf
running nwchem on different networks (infiniband and our private interconnect) Started By : Ruchir	1	295	Sep 12th 4:16 pm Edoapra
TIP3P water model in MD Started By : Omen	2	989	Sep 12th 3:36 pm Tps
ERROR WHEN ADDING print debug Started By : Roycuevas	7	346	Aug 24th 12:13 pm Edoapra
one additional core than requested is used in mpi running of nwchem Started By : Jtravers	3	338	Aug 23rd 6:33 pm Edoapra
Title length dependence? Started By : Cchang	1	243	Aug 23rd 10:46 am Cchang
Atoms missing from the geometry. Started By : Davis68	10	442	Aug 22nd 6:09 pm Bylaska
rsolv for water in "cosmo" Started By : Ysjho	2	424	Aug 21st 11:50 pm Yjleedaniel
Atomic Charges from Car-Parrinello Started By : Dbinion	0	295	Aug 12th 4:51 pm Dbinion
NWChem computation: multi-CPU run never converges Started By : Jeronimo	4	619	Aug 6th 3:38 am Jeronimo
NWChem Slower with Multithreading? Started By : DouDou	1	349	Aug 2nd 10:53 am Edoapra
Running a Parallel Job Started By : DouDou	7	611	Aug 1st 12:52 pm DouDou
Runtime database errors Started By : Tennisace143	3	397	Jul 30th 11:07 am Edoapra
Memory Consumption CISD/CCSD Started By : Ch	3	458	Jul 26th 1:08 am Ch

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