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Thread Title Replies Views Last Action Forum
Linking NWChem against Intel's MKL
Started By : DouDou
6 5963 Dec 10th 9:11 am
Jhammond
Compiling NWChem
Linking Problems when compiling NWChem 6.3
Started By : DouDou
9 2997 May 22nd 5:41 pm
DouDou
Compiling NWChem
Calculating delta G from frequency calculation.
Started By : Beckmw
4 3545 May 13th 3:46 pm
Beckmw
General Topics
Off-diagonal Dipole Moment Elements betwen Excited States
Started By : DouDou
2 1863 May 9th 10:03 am
DouDou
NWChem functionality
NWChem GPU Modules
Started By : Jean
3 2775 Feb 12th 3:45 pm
Edoapra
General Topics
NWCHEM fails to run on multiple nodes
Started By : Mef362
12 6105 Jan 17th 11:30 am
Mef362
Running NWChem
Setting ARMCI_DEFAULT_SHMMAX properly
Started By : Martijn
5 4809 Dec 21st 2:12 am
Martijn
Running NWChem
"sym_movecs_adapt: no significant component?" Error
Started By : DouDou
7 3169 Nov 25th 12:26 am
Goranka
General Topics
The excitation energy on EOM-CCSD QM/MM calculation?
Started By : Wjb0920
3 4066 Nov 13th 5:15 am
Wjb0920
QMMM
Error when trying to start ECCE on Ubuntu 12.04
Started By : DouDou
3 4314 Aug 17th 3:25 pm
Gary
General ECCE Topics
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
Started By : DouDou
2 4020 Aug 1st 9:06 pm
DouDou
Compiling NWChem
Running a Parallel Job
Started By : DouDou
7 3064 Aug 1st 12:52 pm
DouDou
Running NWChem

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