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vrange nnbf - Out of memory events?
Started By : ClickChemist
4 685 Sep 22nd 11:13 am
ClickChemist
Running NWChem
-lcc_dynamic missing on latest Mac
Started By : Jhammond
4 507 Sep 22nd 11:10 am
Jhammond
Compiling NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 8445 Sep 21st 2:36 pm
Jhammond
Compiling NWChem
running ccsd(t) yields ccsd_t communication error
Started By : Fulvio.ciriaco
3 654 Sep 21st 2:18 pm
Jhammond
Running NWChem
NWChem 6.6 Compiling on Cray: FTN Recursive Include Error
Started By : Pyswagoras
3 526 Sep 21st 2:13 pm
Jhammond
Compiling NWChem
nwchem-6.6 compilation error from source
Started By : Neo
6 541 Sep 21st 2:22 am
Neo
Compiling NWChem
why nwchem_6.0 crashes in parallel run
Started By : Neo
2 419 Sep 14th 8:05 pm
Neo
Compiling NWChem
NWChem seg fault crashes on Centos 7.2
Started By : Deej
10 1114 Sep 1st 4:46 pm
Jdmoore2004
Compiling NWChem
Access DFT solution coefficients for LCAO from python
Started By : Den59
9 593 Aug 29th 12:34 pm
Den59
General Topics
"rtdb_open old failed" on BG/Q when old rtdb file exists
Started By : Buchwj
2 398 Aug 26th 1:05 pm
Edoapra
Running NWChem
NWChem 6.3 library containing MPI_Init no
Started By : Andrew
4 489 Aug 25th 8:28 am
Edoapra
Compiling NWChem
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
12 868 Aug 24th 1:05 pm
Den59
Compiling NWChem
use maintenance versions (6.6.1, 6.6.2) for critical patches
Started By : Den59
1 671 Aug 24th 12:52 pm
Den59
Feedback
NWChem 6.6: util_getppn.patch is already partly applied
Started By : Den59
1 427 Aug 23rd 8:02 am
Edoapra
Compiling NWChem
"shm_create" problem running on parallel nodes
Started By : Maxjr
10 469 Aug 16th 5:29 am
Maxjr
Running NWChem
Error in IR calculation
Started By : Satvinder singh
1 356 Aug 11th 8:44 am
Edoapra
Running NWChem
NWChem 6.6 for BlueGene/Q
Started By : Chiensh
15 1554 Aug 10th 9:49 pm
Buchwj
Compiling NWChem
NWChem 6.6 compilation fails on mac
Started By : Nevensky
5 522 Aug 8th 3:45 pm
Edoapra
Compiling NWChem
Compiling NWChem on Cygwin1 2
Started By : P99
21 15885 Aug 4th 8:15 am
Noureddine
Compiling NWChem
Double Upload
Started By : DanielAravena
2 493 Aug 3rd 5:41 am
DanielAravena
General BSE Topics
trouble with M06-2X
Started By : Faklerus
6 451 Aug 1st 2:22 am
Faklerus
Running NWChem
How to calculate polarizability
Started By : NWfmohri
4 557 Jul 27th 4:14 pm
NWfmohri
Running NWChem
some patches do not apply cleanly against Nwchem-6.6.revision27746-src.2015-10-20
Started By : Marcindulak
1 588 Jul 22nd 7:57 am
Edoapra
Compiling NWChem
NWChem 6.6 compiles but doesn't work on the new Fedora 24
Started By : LonelySpooky
2 1115 Jul 19th 6:54 am
LonelySpooky
Compiling NWChem
Error in Geometry Optimization
Started By : Natalia
5 408 Jul 14th 12:59 pm
Edoapra
Running NWChem
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