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 2528293031323334Next 25Last

Thread Title	Replies	Views	Last Action
MP2 on BlueGene/Q BGP - scaling, crashes and the rest	0	1527	Feb 13th 3:13 am Cdhogan
How to bring wall time closer to cpu time	2	3107	Feb 12th 2:12 pm Mlee33
pnga_create_config:ga_set_data:wrong dimension specified	2	2490	Feb 9th 8:19 pm Kmh603
error on single point unrestricted dft calculation	1	1857	Jan 28th 11:24 am Edoapra
I get error message 'Numerical result out of range' after 8-9 ours running	2	5923	Jan 26th 7:51 pm Luisjromero
How to calculate electrostatic potential map?	0	1573	Jan 26th 7:45 pm Luisjromero
runtime error when running nwchem	2	1907	Jan 23rd 4:54 pm Tpirojsi
On entry to DLASCL parameter number 5 had an illegal value	0	5831	Jan 17th 2:55 am Harsh Somani
how to convert memory in bytes or words to memory in MA or GA ?	4	3286	Jan 15th 12:37 pm Edoapra
Is it possible to run NWChem on a provider's server?	1	1454	Jan 10th 8:07 pm Mernst
How to visualize the trjactory generated by NWChem	6	5313	Jan 4th 10:51 pm Nfrik
Problem runing simple imput example	0	1371	Dec 20th 7:50 am Victorero
Raman test fails	2	2021	Dec 20th 4:48 am Manohar.awasthi
CISDTQ not compiled 0 ??	2	1924	Dec 19th 11:43 am Edoapra
uninterruptible sleep in the calculations	2	1548	Dec 18th 7:50 pm Skipper
Problem with exporting Pseudopotential libraries	1	1855	Dec 6th 4:18 pm Huub
Running MRCC	1	1795	Dec 4th 10:32 am Edoapra
Pneb_w_diag: ZHEEV failed	1	2177	Dec 1st 8:03 pm Tholme
Problems using cgmin with COSMO and also with charge density fitting.	0	1904	Nov 28th 5:40 am Rmera
swapping alphas with betas	2	1773	Nov 27th 8:35 pm Adampelzer
clearing shared memory from unterminated processes	3	13830	Nov 27th 12:49 pm Tpirojsi
parameter ot of range in legendre_lm	0	1551	Nov 22nd 9:43 am Jbaltrus
units of cutoff in NWPW	0	1536	Nov 22nd 4:58 am Jbaltrus
Input file errors; unexplained error messages	2	2159	Nov 19th 1:22 pm Tholme
qmmm fep and qmmm NEB modules failed in nwchem 6.3	0	1841	Nov 12th 12:27 am Tpirojsi
Suggested values for ewald_ncut and ewald_rcut	0	1639	Nov 9th 1:46 pm Tholme

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2528293031323334Next 25Last