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Displaying 26 results for: Edoapra Posts
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error with examples jobs
Started By : Maurorodas
3 1770 Apr 22nd 4:01 pm
Edoapra
Running NWChem
Build with openmp
Started By : Mpayami
4 2867 Apr 21st 8:21 am
Mpayami
Compiling NWChem
RedHat6.2
Started By : Mef362
8 1970 Apr 11th 1:03 pm
Mef362
Compiling NWChem
ARMCI Errors with MKL ScaLAPACK
Started By : 11bolts
6 4112 Mar 15th 4:15 pm
Edoapra
Running NWChem
QM/MM Error in NWChem 6.1.1
Started By : David M. Rogers
2 2531 Mar 13th 1:31 pm
David M. Rogers
QMMM
Orphan processes in killed NWChem 6.1.1 job
Started By : Jwkeller
7 2190 Mar 2nd 10:54 pm
Jwkeller
Running NWChem
test
Started By : Espent
4 1705 Feb 27th 3:24 am
Espent
Running NWChem
Nwchem(any version) and NBO (5.9) linking
Started By : Roon
7 4840 Feb 25th 11:33 am
Bert
Compiling NWChem
optimization failed
Started By : Clusterix
1 1798 Feb 25th 11:25 am
Edoapra
General Topics
Segmentation fault
Started By : Hanlonte
2 2144 Feb 25th 11:02 am
Edoapra
General Topics
ARMCI DASSERT fails when running NWCHEM on 512 cores
Started By : As
1 1741 Feb 19th 11:53 am
Edoapra
General Topics
calculations not reaching convergence criteria
Started By : Velyana
1 3558 Feb 19th 11:48 am
Edoapra
Running NWChem
"autosym failed..."
Started By : Adampelzer
6 2579 Feb 18th 8:17 pm
Adampelzer
Running NWChem
NWChem GPU Modules
Started By : Jean
3 2464 Feb 12th 3:45 pm
Edoapra
General Topics
NWChem 6.1.1: input.aoints.N files?
Started By : Jwkeller
1 1807 Feb 11th 11:19 am
Edoapra
Running NWChem
Torque
Started By : Wjb0920
5 2210 Feb 9th 7:12 pm
Wjb0920
Compiling NWChem
Linking Problems
Started By : CoolEsza
5 2883 Feb 8th 11:23 am
Edoapra
Compiling NWChem
How to setup "ecp"?
Started By : P99
1 2117 Feb 8th 11:09 am
Edoapra
General Topics
issues with M06-2X dispersion / aug-cc-pVTZ optimization
Started By : Yangyue1209
10 3144 Feb 7th 2:42 pm
Yangyue1209
Running NWChem
Problem running nwchem in multiple processors
Started By : Cebernardes
3 3807 Feb 7th 12:50 pm
Edoapra
Running NWChem
What is the default number of iterations for DFT job?
Started By : Jwkeller
4 3763 Feb 6th 11:18 am
Jwkeller
Running NWChem
Compiling on IBM P775
Started By : Lukas Demovic
2 2095 Feb 6th 1:11 am
Lukas Demovic
Compiling NWChem
What are input.gridpts.n and can they be deleted?
Started By : Jwkeller
1 2007 Feb 4th 1:28 pm
Edoapra
Running NWChem
gaussian cubes with multiple orbitals
Started By : Ddcr
1 1667 Jan 25th 3:07 pm
Edoapra
Running NWChem
CDFT: Unable to improve the multipliers 0
Started By : Bbob79
7 3689 Jan 21st 12:11 pm
Edoapra
Running NWChem
Fractional occupation
Started By : Vhs
2 2270 Jan 21st 6:23 am
Vhs
General Topics
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