Running NWChem

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Announcement's Replies Views Last Action
Locked Sticky: Website shutting down. Moving forum to google groups
Started By : Edoapra
0 743 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13126 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
fake imaginary frequencies?
Started By : Marcof
1 683 Aug 6th 11:48 pm
Marcof
using gdb with NWChem
Started By : BobOlsen
0 472 Aug 6th 12:55 pm
BobOlsen
NMR with relativistic effects
Started By : Diego paschoal
0 501 Aug 5th 4:54 pm
Diego paschoal
BSSE with ECP
Started By : Marcel
2 630 Aug 1st 7:16 am
Marcel
integration grid in Hessian/frequencies task
Started By : Marcof
1 478 Jul 30th 9:50 am
Edoapra
Current QA test validation results
Started By : Mjf
1 582 Jul 27th 10:02 am
Edoapra
driver_cart_pmat error for geometry optimization of large system
Started By : Ryan81
1 616 Jul 23rd 5:17 am
Sean
txs_error called
Started By : Ryan81
2 545 Jul 21st 7:06 am
Ryan81
ARMCI DASSERT fail
Started By : Pavn
2 1025 Jul 18th 10:35 am
Pavn
How much memory does NWChem need?
Started By : Aja134
0 546 Jul 13th 9:11 am
Aja134
Geometry keyword
Started By : Prsv12
0 494 Jul 12th 11:56 am
Prsv12
Erratic behaviour with multi-node runs
Started By : Orestis
0 507 Jul 12th 8:35 am
Orestis
nwchem runtime difference - single node vs multi-node
Started By : Mukul92
1 443 Jul 11th 6:58 am
Mukul92
(Solved) NMR: hnd_rysnod: root not found
Started By : Raul l
2 765 Jul 3rd 8:02 am
Raul l
imaginary frequency with MP2 freq calculation
Started By : Aja134
2 591 Jul 1st 11:12 pm
Aja134
(Solved) H2O PBE J-coupling incorrect
Started By : Raul l
2 571 Jun 25th 7:16 pm
Raul l
DFT: Convergence issue CH4
Started By : Mbarbry
4 716 Jun 25th 5:50 pm
Edoapra
CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
Started By : Srhhh
14 1264 Jun 22nd 9:06 pm
Xiongyan21
About the calculation1
Started By : Greatqi
3 611 Jun 13th 11:10 am
Edoapra
tce cuda
Started By : Faklerus
3 873 May 30th 3:49 am
Xiongyan21
projecting vectors with SODFT
Started By : Lixpas
2 583 May 25th 1:56 am
Lixpas
Dummy atoms directive in NWChem
Started By : Neo
6 1991 May 10th 11:03 pm
Neo
print ci coefficients
Started By : Rhallduc
0 509 May 10th 9:12 am
Rhallduc
constraints slab fix atom 173 174:698 NW ver 6.6
Started By : Marcel
2 727 May 5th 5:44 am
Marcel
PDOS calculation with nwchem
Started By : Ghoshnaren13
0 634 May 1st 1:51 am
Ghoshnaren13

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