| Thread Title |
Replies |
Views |
Last Action |
How to bring wall time closer to cpu time
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2 |
3107 |
Feb 12th 2:12 pm
Mlee33 |
pnga_create_config:ga_set_data:wrong dimension specified
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2 |
2490 |
Feb 9th 8:19 pm
Kmh603 |
error on single point unrestricted dft calculation
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1 |
1857 |
Jan 28th 11:24 am
Edoapra |
I get error message 'Numerical result out of range' after 8-9 ours running
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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
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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.
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0 |
1904 |
Nov 28th 5:40 am
Rmera |
swapping alphas with betas
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2 |
1773 |
Nov 27th 8:35 pm
Adampelzer |
clearing shared memory from unterminated processes
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3 |
13830 |
Nov 27th 12:49 pm
Tpirojsi |
parameter ot of range in legendre_lm
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0 |
1551 |
Nov 22nd 9:43 am
Jbaltrus |
units of cutoff in NWPW
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0 |
1536 |
Nov 22nd 4:58 am
Jbaltrus |
Input file errors; unexplained error messages
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2 |
2159 |
Nov 19th 1:22 pm
Tholme |
qmmm fep and qmmm NEB modules failed in nwchem 6.3
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0 |
1841 |
Nov 12th 12:27 am
Tpirojsi |
Suggested values for ewald_ncut and ewald_rcut
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0 |
1639 |
Nov 9th 1:46 pm
Tholme |