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
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
NWChem 6.5 Job crashes	5	2470	Dec 7th 12:45 am Samw
Error Running CPHF Module	14	3187	Dec 3rd 4:36 pm Edoapra

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2522232425262728Next 25Last