Running NWChem

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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
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
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