Running NWChem

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

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Thread Title	Replies	Views	Last Action
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message	1	2348	Feb 14th 5:06 pm Huub
Problem with input for NWChem 6.1.1 and 6.5	6	2048	Feb 14th 7:37 am AlexanderLV
MRCC for non-singlets	0	1405	Feb 13th 3:04 am Mpol
tddft_transfm: failed to allocate w2	1	2048	Feb 9th 12:19 pm Edoapra
NWChem isn't running properly	2	2153	Feb 3rd 10:46 am KhunWasut
Segmentation Violation error, status=: 11	0	2777	Feb 1st 3:13 pm Masrul
Running Nwchem First time	1	1885	Jan 30th 12:59 am Neo
Multiple errors running NWChem 6.5 on Intel Xeon	3	1454	Jan 26th 11:45 am Edoapra
TCE ARMCI DASSERT fail in running NWChem-6.1	2	1577	Jan 12th 12:29 pm Jemmyhu
NEB Error	1	1599	Dec 26th 9:55 am Mhiranya
BSSE energy coming too high !!	0	1377	Dec 24th 5:44 am Neo
Help with large CCSD(T) Calculation	8	7687	Dec 24th 2:52 am Neo
Problem in HWLOC	7	4318	Dec 20th 3:07 am Semmen
String method for three geoms	0	1239	Dec 19th 12:29 pm Pdpatel
Error in running MEPGS calculation	4	2210	Dec 19th 12:26 pm Pdpatel
ARMCI DASSERT fail for CCSD property job	2	2544	Dec 10th 9:40 am Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory	6	4725	Dec 10th 9:35 am Jhammond
TCE CCSD print "t2" output	3	2553	Dec 10th 9:13 am Jhammond
TCE - Problems with GA	3	2389	Dec 10th 9:02 am Jhammond
bas_tag_lib: tag does not refer to an atom	4	1933	Dec 10th 8:59 am Neo
Does new version of NWCHEM provide T1 diagnostic for CC ?	3	1817	Dec 10th 8:54 am Jhammond
Cannot Increase GA Needed for Example ccsdt_polar_small	3	1498	Dec 10th 8:44 am Jhammond
EOMCCSDT Calculation Does Not Reach Convergence Criteria	1	1582	Dec 8th 7:10 pm Xiongyan21
NEB Gmax convergence question	6	1556	Dec 7th 12:55 am Samw
NWChem 6.5 Job crashes	5	2471	Dec 7th 12:45 am Samw
Error Running CPHF Module	14	3188	Dec 3rd 4:36 pm Edoapra

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