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64bit Integers
Started By : Jasno
2 180 Feb 14th 2:14 am
Jasno
Compiling NWChem
QA/doqmtests.mpi failures
Started By : Jasno
2 180 Feb 8th 2:42 am
Jasno
General Topics
Molekel and Nwchem Ouput
Started By : Reoverstreet
5 2683 Feb 7th 10:53 am
Edoapra
NWChem functionality
NWChem 6.8: Compilation error in libtce.a(ccsd_t.o) for Intel Phi KNC
Started By : Jskennyu
4 359 Feb 7th 4:05 am
Jskennyu
Compiling NWChem
batch run
Started By : Faklerus
4 246 Feb 1st 10:43 am
Edoapra
Running NWChem
Raman plot point number
Started By : Faklerus
6 348 Feb 1st 10:41 am
Edoapra
NWChem functionality
Running nwchem 6.8 in serial
Started By : Jasno
2 200 Feb 1st 10:30 am
Edoapra
Running NWChem
MPI error when running Metadynamics example
Started By : Salle008
2 238 Jan 31st 4:41 pm
Salle008
Running NWChem
Compile Ubuntu
Started By : Diego paschoal
1 267 Jan 31st 10:58 am
Edoapra
Compiling NWChem
DFT-D3 calculations are failing
Started By : Mizuchi
2 208 Jan 29th 4:30 am
Mizuchi
Running NWChem
Ubuntu 14.04 - inconsistent data on presence of BLAS library
Started By : Shanecentre
1 256 Jan 26th 6:20 pm
Edoapra
Compiling NWChem
BSSE energy negative value
Started By : Marcel
3 244 Jan 26th 10:33 am
Edoapra
General Topics
ga_print
Started By : Jacques D
2 212 Jan 23rd 2:04 am
Jacques D
General Topics
Number of MPI Task Per Note when ARMCI_NETWORK=OpenIB and MCDRAM
Started By : Chiensh
1 187 Jan 22nd 10:35 am
Edoapra
Running NWChem
MEMKIND for FASTMEM
Started By : Chiensh
1 214 Jan 19th 12:34 pm
Edoapra
Compiling NWChem
Dunning's aug-cc basis set convergence
Started By : Amalbavera
5 344 Jan 16th 4:24 pm
Amalbavera
Running NWChem
Compiling Ubuntu 17.10
Started By : Diego paschoal
2 243 Jan 13th 5:48 pm
Diego paschoal
Compiling NWChem
Convergence problems with Au cluster1 2
Started By : Alessandro.chiesa
19 3766 Jan 8th 9:28 pm
Xiongyan21
Running NWChem
NWChem 6.6: MA fatal error: MA_sizeof: invalid datatype (macOS)
Started By : Den59
13 1322 Dec 27th 10:02 pm
Jhammond
Compiling NWChem
NWChem 6.8: bug in molden file when symmetry is used
Started By : Zork
1 554 Dec 25th 10:14 am
Edoapra
Feedback
write-failed error on large systems
Started By : Samarjeet
3 230 Dec 21st 3:45 pm
Samarjeet
General Topics
NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g
Started By : Twotoneblue
9 487 Dec 13th 2:15 pm
Twotoneblue
General Topics
Bug in density Laplacian calculation in nwdft
Started By : Dmejiar
2 251 Dec 7th 2:39 pm
Dmejiar
Feedback
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
Started By : Xiongyan21
8 583 Dec 6th 6:15 am
Xiongyan21
Compiling NWChem
M06-2x and DISP v.4
Started By : Lmihael
3 379 Dec 4th 1:40 pm
Edoapra
NWChem functionality
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