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X + COSMO
Started By : P99
3 36 Feb 20th 2:47 am
Xiongyan21
Feedback
TCE restart on BlueGene/Q
Started By : Masterluke
9 91 Feb 17th 8:22 pm
Xiongyan21
Running NWChem
6.8 on Windows
Started By : P99
1 20 Feb 16th 11:54 am
Edoapra
Compiling NWChem
NWChem 6.6 -segmentation fault
Started By : Akrish
12 242 Feb 16th 9:26 am
Edoapra
Compiling NWChem
64bit Integers
Started By : Jasno
2 33 Feb 14th 1:14 am
Jasno
Compiling NWChem
QA/doqmtests.mpi failures
Started By : Jasno
2 41 Feb 8th 1:42 am
Jasno
General Topics
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2351 Feb 7th 9:53 am
Edoapra
NWChem functionality
NWChem 6.8: Compilation error in libtce.a(ccsd_t.o) for Intel Phi KNC
Started By : Jskennyu
4 66 Feb 7th 3:05 am
Jskennyu
Compiling NWChem
batch run
Started By : Faklerus
4 61 Feb 1st 9:43 am
Edoapra
Running NWChem
Raman plot point number
Started By : Faklerus
6 219 Feb 1st 9:41 am
Edoapra
NWChem functionality
Running nwchem 6.8 in serial
Started By : Jasno
2 27 Feb 1st 9:30 am
Edoapra
Running NWChem
MPI error when running Metadynamics example
Started By : Salle008
2 50 Jan 31st 3:41 pm
Salle008
Running NWChem
Compile Ubuntu
Started By : Diego paschoal
1 54 Jan 31st 9:58 am
Edoapra
Compiling NWChem
DFT-D3 calculations are failing
Started By : Mizuchi
2 59 Jan 29th 3:30 am
Mizuchi
Running NWChem
Ubuntu 14.04 - inconsistent data on presence of BLAS library
Started By : Shanecentre
1 61 Jan 26th 5:20 pm
Edoapra
Compiling NWChem
BSSE energy negative value
Started By : Marcel
3 63 Jan 26th 9:33 am
Edoapra
General Topics
ga_print
Started By : Jacques D
2 49 Jan 23rd 1:04 am
Jacques D
General Topics
Number of MPI Task Per Note when ARMCI_NETWORK=OpenIB and MCDRAM
Started By : Chiensh
1 38 Jan 22nd 9:35 am
Edoapra
Running NWChem
Testing NWChem installation for correctness
Started By : Luiceur
3 95 Jan 19th 2:21 pm
Edoapra
Compiling NWChem
MEMKIND for FASTMEM
Started By : Chiensh
1 49 Jan 19th 11:34 am
Edoapra
Compiling NWChem
Dunning's aug-cc basis set convergence
Started By : Amalbavera
5 73 Jan 16th 3:24 pm
Amalbavera
Running NWChem
Trouble with negative frequencies
Started By : ChemHunter
11 189 Jan 16th 8:55 am
ChemHunter
Running NWChem
Compiling Ubuntu 17.10
Started By : Diego paschoal
2 86 Jan 13th 4:48 pm
Diego paschoal
Compiling NWChem
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
19 2722 Jan 8th 8:28 pm
Xiongyan21
Running NWChem
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
13 1049 Dec 27th 9:02 pm
Jhammond
Compiling NWChem
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