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
NWChem NMR calculation fails with "get_dia: nga_create failed g_h11 all " error message	2	657	Nov 10th 9:55 pm Xiongyan21
dft raman calculation	4	592	Nov 8th 3:05 pm Zyzhang
Segmentation fault in NWChem frequency calculation.	9	694	Nov 6th 4:42 pm Zyzhang
mpirun nwchem on Windows Subsystem for Linux?	2	4771	Oct 26th 11:02 am Seebol
there must be at least two ranks per node	4	825	Oct 15th 12:44 pm Edoapra
Memory usage from EOM-CCSD log	2	629	Oct 3rd 10:28 am Cchang
CREOMSD(T) with 1000 basis functions - recommendations	1	541	Oct 2nd 8:28 pm Xiongyan21
veiwing Molecular orbitals	0	542	Sep 28th 11:08 am Mccusker
SODFT singlepoint fluctuations	1	409	Sep 18th 3:31 pm Edoapra
cam-b3lyp with Grimme DFT-D3	1	719	Sep 4th 12:03 pm Edoapra
Running Large Systems	0	665	Aug 23rd 11:32 am Rsiegel
DIIS turns off after iteration 300	6	675	Aug 23rd 2:59 am GenomZ
DFT optimized failed and Bad termination exit code 255	4	982	Aug 20th 10:52 am Jwkeller
fake imaginary frequencies?	1	746	Aug 6th 11:48 pm Marcof
using gdb with NWChem	0	516	Aug 6th 12:55 pm BobOlsen
NMR with relativistic effects	0	537	Aug 5th 4:54 pm Diego paschoal
BSSE with ECP	2	675	Aug 1st 7:16 am Marcel
integration grid in Hessian/frequencies task	1	531	Jul 30th 9:50 am Edoapra
Current QA test validation results	1	645	Jul 27th 10:02 am Edoapra
driver_cart_pmat error for geometry optimization of large system	1	674	Jul 23rd 5:17 am Sean
txs_error called	2	591	Jul 21st 7:06 am Ryan81
ARMCI DASSERT fail	2	1122	Jul 18th 10:35 am Pavn
How much memory does NWChem need?	0	616	Jul 13th 9:11 am Aja134
Geometry keyword	0	542	Jul 12th 11:56 am Prsv12
Erratic behaviour with multi-node runs	0	569	Jul 12th 8:35 am Orestis

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