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TCE restart on BlueGene/Q
Started By : Masterluke
9 70 Feb 17th 8:22 pm
Xiongyan21
Running NWChem
6.8 on Windows
Started By : P99
1 13 Feb 16th 11:54 am
Edoapra
Compiling NWChem
X + COSMO
Started By : P99
1 18 Feb 16th 9:31 am
Edoapra
Feedback
NWChem 6.6 -segmentation fault
Started By : Akrish
12 234 Feb 16th 9:26 am
Edoapra
Compiling NWChem
Trouble with negative frequencies
Started By : ChemHunter
11 172 Feb 14th 10:37 am
Edoapra
Running NWChem
64bit Integers
Started By : Jasno
2 29 Feb 14th 1:14 am
Jasno
Compiling NWChem
QA/doqmtests.mpi failures
Started By : Jasno
2 38 Feb 8th 1:42 am
Jasno
General Topics
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2348 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 61 Feb 7th 3:05 am
Jskennyu
Compiling NWChem
batch run
Started By : Faklerus
4 53 Feb 1st 9:43 am
Edoapra
Running NWChem
Raman plot point number
Started By : Faklerus
6 214 Feb 1st 9:41 am
Edoapra
NWChem functionality
Running nwchem 6.8 in serial
Started By : Jasno
2 22 Feb 1st 9:30 am
Edoapra
Running NWChem
MPI error when running Metadynamics example
Started By : Salle008
2 47 Jan 31st 3:41 pm
Salle008
Running NWChem
Compile Ubuntu
Started By : Diego paschoal
1 51 Jan 31st 9:58 am
Edoapra
Compiling NWChem
DFT-D3 calculations are failing
Started By : Mizuchi
2 58 Jan 29th 3:30 am
Mizuchi
Running NWChem
Ubuntu 14.04 - inconsistent data on presence of BLAS library
Started By : Shanecentre
1 59 Jan 26th 5:20 pm
Edoapra
Compiling NWChem
BSSE energy negative value
Started By : Marcel
3 59 Jan 26th 9:33 am
Edoapra
General Topics
ga_print
Started By : Jacques D
2 47 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 36 Jan 22nd 9:35 am
Edoapra
Running NWChem
Testing NWChem installation for correctness
Started By : Luiceur
3 88 Jan 19th 2:21 pm
Edoapra
Compiling NWChem
MEMKIND for FASTMEM
Started By : Chiensh
1 47 Jan 19th 11:34 am
Edoapra
Compiling NWChem
Dunning's aug-cc basis set convergence
Started By : Amalbavera
5 64 Jan 16th 3:24 pm
Amalbavera
Running NWChem
Compiling Ubuntu 17.10
Started By : Diego paschoal
2 81 Jan 13th 4:48 pm
Diego paschoal
Compiling NWChem
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
19 2691 Jan 8th 8:28 pm
Xiongyan21
Running NWChem
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
13 1040 Dec 27th 9:02 pm
Jhammond
Compiling NWChem
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