Running NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1626 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
String Error: zts_meps: gradient failed 0
Started By : Pdpatel
1 1881 Feb 14th 4:25 pm
Huub
nbf/nmo/basis-name mismatch error in string and neb
Started By : Pdpatel
1 2424 Feb 14th 4:16 pm
Huub
"0:geom_input:center is neither atom nor bq:Received an Error in Communication" error message
Started By : Tatireddy
1 1802 Feb 14th 4:06 pm
Huub
Problem with input for NWChem 6.1.1 and 6.5
Started By : AlexanderLV
6 1732 Feb 14th 6:37 am
AlexanderLV
MRCC for non-singlets
Started By : Mpol
0 1182 Feb 13th 2:04 am
Mpol
tddft_transfm: failed to allocate w2
Started By : Martijn
1 1713 Feb 9th 11:19 am
Edoapra
NWChem isn't running properly
Started By : KhunWasut
2 1746 Feb 3rd 9:46 am
KhunWasut
Segmentation Violation error, status=: 11
Started By : Masrul
0 2308 Feb 1st 2:13 pm
Masrul
Running Nwchem First time
Started By : Masrul
1 1610 Jan 29th 11:59 pm
Neo
Multiple errors running NWChem 6.5 on Intel Xeon
Started By : AlexanderLV
3 1186 Jan 26th 10:45 am
Edoapra
TCE ARMCI DASSERT fail in running NWChem-6.1
Started By : Jemmyhu
2 1139 Jan 12th 11:29 am
Jemmyhu
NEB Error
Started By : Mhiranya
1 1283 Dec 26th 8:55 am
Mhiranya
BSSE energy coming too high !!
Started By : Neo
0 1071 Dec 24th 4:44 am
Neo
Help with large CCSD(T) Calculation
Started By : Kmclaugh
8 6362 Dec 24th 1:52 am
Neo
Problem in HWLOC
Started By : Semmen
7 3327 Dec 20th 2:07 am
Semmen
String method for three geoms
Started By : Pdpatel
0 954 Dec 19th 11:29 am
Pdpatel
Error in running MEPGS calculation
Started By : Pdpatel
4 1673 Dec 19th 11:26 am
Pdpatel
ARMCI DASSERT fail for CCSD property job
Started By : Cnrowley
2 2087 Dec 10th 8:40 am
Jhammond
Dielectric Properties at MP2 and CCSD(T) level of theory
Started By : Guest -
6 4076 Dec 10th 8:35 am
Jhammond
TCE CCSD print "t2" output
Started By : Cchang
3 2076 Dec 10th 8:13 am
Jhammond
TCE - Problems with GA
Started By : CoolEsza
3 1878 Dec 10th 8:02 am
Jhammond
bas_tag_lib: tag does not refer to an atom
Started By : Neo
4 1535 Dec 10th 7:59 am
Neo
Does new version of NWCHEM provide T1 diagnostic for CC ?
Started By : Zfang
3 1498 Dec 10th 7:54 am
Jhammond
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1162 Dec 10th 7:44 am
Jhammond
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1285 Dec 8th 6:10 pm
Xiongyan21

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