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

Jump to page 1Prev 2522232425262728Next 25Last
Thread Title Replies Views Last Action
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
Multiple Jobs in One File
4 1994 Dec 3rd 12:35 am
Brose
multiplicity problem in open-shell dft
5 4457 Dec 2nd 6:51 am
Neo

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2522232425262728Next 25Last