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Segmentation Violation error / ARMCI DASSERT fail
Started By : Cgaul
5 1553 Feb 15th 6:40 am
Ivo
Running NWChem
Transition state search from frequency calculation
Started By : Rasmus
3 592 Feb 9th 3:07 am
Rasmus
Running NWChem
Feature request: write entropy to RTDB
Started By : Drhaney
1 568 Feb 8th 10:25 am
Edoapra
NWChem functionality
Problems in steric energy calculation
Started By : Alison.pacheco
2 576 Feb 3rd 4:16 pm
Alison.pacheco
Running NWChem
ld: cannot find -lpython2.7
Started By : Gwolosh
13 1556 Feb 3rd 5:40 am
Gwolosh
Compiling NWChem
Difficulties offloading the ccsd calculation with Xeon Phi
Started By : Glaws003
2 1043 Jan 26th 3:33 am
Glaws003
Running NWChem
SCS-CCSD is bogus on restart
Started By : Jhammond
2 587 Jan 25th 2:54 pm
Jhammond
General Topics
NWChem 6.6 and OS X El Capitan1 2
Started By : 58607
16 4369 Jan 25th 10:42 am
58607
Compiling NWChem
Wrong format for small values in cube files created by dplot
Started By : Futofuji
4 1015 Jan 22nd 1:01 pm
Futofuji
Running NWChem
Different basis sets for the same atoms/molecules
Started By : Lamberts
1 490 Jan 22nd 10:58 am
Edoapra
General Topics
Similar compilation problems NWChem-6.6
Started By : Proteindj
13 1848 Jan 22nd 8:36 am
Proteindj
Compiling NWChem
int/Integer argument type mismatch inside peigs is causing segmentation fault
Started By : Bvoigt
6 793 Jan 21st 11:11 am
Bvoigt
Compiling NWChem
configure: error: f2c string convention is neither after args nor after string
Started By : Ylniu
1 614 Jan 21st 10:29 am
Edoapra
Compiling NWChem
running problem in windows 10
Started By : Abhay ms
1 629 Jan 20th 12:57 pm
Edoapra
Running NWChem
antiferromagnetic coupling
Started By : Sebetci
3 671 Jan 15th 8:03 am
YALDA88
General Topics
nwchem-6.6 ifort, segmentation fault1 2
Started By : Sbbfifa
16 4749 Jan 13th 2:19 pm
Sbbfifa
Compiling NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1123 Jan 13th 12:59 pm
Buchwj
Running NWChem
NWchem-6.5 compilation: Segmentation fault
Started By : Anastasia.phys
4 1104 Jan 13th 3:17 am
Anastasia.phys
Compiling NWChem
abelian symmetry check subroutine is lacking groups ..
Started By : Jaapkroe
1 1227 Jan 8th 11:00 am
Edoapra
Feedback
Unexplained termination of NWChem job
Started By : Socion
1 663 Jan 6th 2:45 pm
Edoapra
Running NWChem
undefined symbols for architecture x86/64
Started By : LJ
2 756 Dec 31st 12:26 pm
LJ
Compiling NWChem
Basis set descriptions disappeared
Started By : Grandrienko
1 1211 Dec 27th 5:55 am
Grandrienko
General BSE Topics
NWChem 6.6/CentOS 7 compile fails
Started By : Jwkeller
14 2817 Dec 21st 9:50 pm
Frankenstein
Compiling NWChem
Compiling NWChem 6.6 on openSUSE42.11 2
Started By : Frankenstein
16 2778 Dec 18th 1:12 pm
Frankenstein
Compiling NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 753 Dec 15th 7:45 pm
Buchwj
Running NWChem
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