Thread Title |
Replies |
Views |
Last Action |
CDFT for C60-rubrene
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3 |
1797 |
Jul 29th 1:19 pm Edoapra |
CPKS Not Converged
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0 |
967 |
Jul 29th 8:43 am Gayverjr |
Error Reading d-aug-cc-pvdz
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2 |
1258 |
Jul 24th 1:15 pm Gayverjr |
Is 256G PCIe based-SSD enough for most calculations?
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0 |
1346 |
Jul 24th 7:03 am Xiongyan21 |
error by running rodft
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2 |
1135 |
Jul 21st 1:49 am HubertRO |
Hardware recommendation
|
4 |
2131 |
Jul 14th 4:50 pm Jhammond |
"inconsistency processing clusterinfo" error when trying to use multiple cluster nodes...
|
12 |
1840 |
Jul 14th 7:24 am Gutow |
Error related to the specified geometry
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2 |
1486 |
Jul 10th 9:25 am Gayverjr |
tce_mrcc_readref
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2 |
1556 |
Jul 8th 12:04 pm Karol |
Problems with parallel md launch
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0 |
1350 |
Jul 7th 4:17 am Anastasia.phys |
Running Efieldgrad with less iterations
|
1 |
1649 |
Jul 6th 5:18 pm Edoapra |
Exit with no message after single iteration in DFT optimization
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0 |
1591 |
Jul 2nd 8:47 am Buchwj |
bas_geobas_build error message while running a calculation using ZORA feature
|
9 |
2458 |
Jul 1st 12:02 am Tatireddy |
CCSD(T) createfile: failed ga_create size=*********
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3 |
2154 |
Jun 24th 12:11 am Gncs |
NWChem 6.5 cosmo unknown keyword
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1 |
1259 |
Jun 18th 6:17 am Kristaps |
Running NWCHEM in two nodes
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2 |
1479 |
Jun 16th 12:30 am Neo |
Endless problems in viewing classical trajectory
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0 |
1763 |
Jun 10th 3:43 am Yahcen |
TDDFT Excited state geometry relaxation goes up in energy.
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0 |
1901 |
Jun 5th 10:57 am Obm |
error ival=5
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5 |
1540 |
May 28th 9:02 am Cchang |
Nwchem suspends after running for few hours !!
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0 |
1068 |
May 26th 12:07 am Neo |
dependency of convergence on grid size
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0 |
1060 |
May 21st 10:54 pm Neo |
Segment file in md
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0 |
1317 |
May 6th 8:55 am Saeed1 |
rtdb problem
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8 |
2145 |
May 4th 2:33 am CoolEsza |
nwchem changing geometry
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2 |
1515 |
May 2nd 8:48 am Rpmuller |
Floating Point Exception using shared file IO with TCE
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6 |
3219 |
May 2nd 2:35 am Xiongyan21 |
memory_total ignored in $HOME/.nwchemrc?
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1 |
1199 |
Apr 30th 2:38 pm Mernst |