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
DFT Frequency Analysis failing on Infiniband Cluster	9	2729	Jul 18th 4:23 pm Edoapra
Running QM/MM calculation by charmm on ubuntu 12.04	10	4529	Jul 16th 7:06 pm Zll
NEB problem	4	1877	Jul 15th 8:36 am Pavlo4
Solvent	0	1239	Jul 8th 11:38 pm Fariba4
Periodic systems	0	1154	Jul 8th 11:34 pm Fariba4
BSSE monomers with different multiplicity	2	2313	Jul 7th 7:03 am Guillaume
defining multi-atom monomers for BSSE	0	1383	Jul 7th 5:00 am Neo
Freq calculation fails	2	1786	Jun 27th 2:56 pm Sollebac
parameter ot of range in legendre_lm	3	1526	Jun 27th 10:18 am Mernst
Error in NICS computation - hnd_giaox: geom_tag_to_element failed	4	1963	Jun 25th 4:32 pm Huub
Problem about plot of molecular orbital	1	1602	Jun 25th 1:57 pm Huub
Error restarting an optimisation	2	1228	Jun 24th 2:38 pm Ummacles
running CCSD(T) using TCE, ARMCI DASSERT fail	4	1833	Jun 16th 6:48 am Obm
rt-tddft silently refuses to restart,	1	2323	Jun 15th 4:48 am Obm
Is it possible to use CAM-PBE0 with Real Time TDDFT?	0	1491	Jun 13th 8:05 am Obm
Problems with parallel scaling	3	1979	Jun 12th 11:10 pm Vladimir
Spin-Orbit potential	2	1584	Jun 5th 8:13 pm Dan
armci_malloc:malloc 1 failed	7	3355	Jun 5th 6:10 pm Vladimir
bsse_energy: rtdb_put of nopen failed	5	1982	Jun 5th 12:30 pm Huub
VSCF: "End of File"	2	1896	Jun 3rd 1:04 pm Cchang
Memory error when running Nwchem	4	2031	Jun 2nd 12:36 am USeifert
Running NWChem on KBr using LANL2DZ_ecp shoots error message into the .out file	2	1931	May 28th 9:35 am Tatireddy
xc_input: invalid format	2	2193	May 23rd 10:36 am Cchang
dft energy is too high !	0	1550	May 23rd 5:22 am Neo
ga_scatter_acc:invalid i/j Error	5	1856	May 23rd 2:05 am Landau

Forum >> NWChem's corner >> Running NWChem

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