Running NWChem

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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
nbf/nmo/basis-name mismatch error in string and neb
1 3011 Feb 14th 5:16 pm
Huub
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message
1 2347 Feb 14th 5:06 pm
Huub
Problem with input for NWChem 6.1.1 and 6.5
6 2047 Feb 14th 7:37 am
AlexanderLV
MRCC for non-singlets
0 1404 Feb 13th 3:04 am
Mpol
tddft_transfm: failed to allocate w2
1 2047 Feb 9th 12:19 pm
Edoapra
NWChem isn't running properly
2 2152 Feb 3rd 10:46 am
KhunWasut
Segmentation Violation error, status=: 11
0 2776 Feb 1st 3:13 pm
Masrul
Running Nwchem First time
1 1884 Jan 30th 12:59 am
Neo
Multiple errors running NWChem 6.5 on Intel Xeon
3 1453 Jan 26th 11:45 am
Edoapra
TCE ARMCI DASSERT fail in running NWChem-6.1
2 1576 Jan 12th 12:29 pm
Jemmyhu
NEB Error
1 1598 Dec 26th 9:55 am
Mhiranya
BSSE energy coming too high !!
0 1376 Dec 24th 5:44 am
Neo
Help with large CCSD(T) Calculation
8 7686 Dec 24th 2:52 am
Neo
Problem in HWLOC
7 4317 Dec 20th 3:07 am
Semmen
String method for three geoms
0 1238 Dec 19th 12:29 pm
Pdpatel
Error in running MEPGS calculation
4 2209 Dec 19th 12:26 pm
Pdpatel
ARMCI DASSERT fail for CCSD property job
2 2543 Dec 10th 9:40 am
Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory
6 4724 Dec 10th 9:35 am
Jhammond
TCE CCSD print "t2" output
3 2552 Dec 10th 9:13 am
Jhammond
TCE - Problems with GA
3 2388 Dec 10th 9:02 am
Jhammond
bas_tag_lib: tag does not refer to an atom
4 1932 Dec 10th 8:59 am
Neo
Does new version of NWCHEM provide T1 diagnostic for CC ?
3 1816 Dec 10th 8:54 am
Jhammond
Cannot Increase GA Needed for Example ccsdt_polar_small
3 1497 Dec 10th 8:44 am
Jhammond
EOMCCSDT Calculation Does Not Reach Convergence Criteria
1 1581 Dec 8th 7:10 pm
Xiongyan21
NEB Gmax convergence question
6 1555 Dec 7th 12:55 am
Samw

Forum >> NWChem's corner >> Running NWChem
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