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Displaying 25 results for: Edoapra Posts
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Thread Title Replies Views Last Action Forum
Instructions to build with OpenMPI are outdated
Started By : Yurivict
3 21 Jan 21st 3:48 pm
Edoapra
Compiling NWChem
Problems with negative frequencies
Started By : Sophia.sagala
1 45 Jan 16th 3:12 pm
Edoapra
Running NWChem
run ccsdt error
Started By : Yangli12
7 340 Jan 13th 9:05 pm
Xiongyan21
Running NWChem
*
Started By : Isabelleapo
4 220 Jan 12th 6:13 am
Xiongyan21
Running NWChem
Get error: Last System Error Message from Task 0:: No such file or directory
Started By : Ryan81
11 102 Jan 11th 2:43 pm
Edoapra
Running NWChem
Which keyword let qmmm_freq.nw restart?
Started By : Xiongyan21
2 26 Jan 8th 10:14 am
Edoapra
Running NWChem
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 23 Jan 5th 3:41 pm
Xiongyan21
Compiling NWChem
Issue Comiling NWChem 6.8 on CentOS 7
Started By : Ryan81
1 56 Jan 3rd 12:13 pm
Edoapra
Compiling NWChem
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
Started By : Hrbuchanan
1 58 Jan 3rd 12:09 pm
Edoapra
Compiling NWChem
TDDFT Error with "xc new m06-2x"
Started By : Mdsimulationgroup
3 70 Dec 11th 9:58 am
Edoapra
Running NWChem
Restart freq numerical
Started By : LarryVir
2 65 Dec 4th 4:56 am
LarryVir
Running NWChem
SR wPBE functional
Started By : G123
2 69 Nov 30th 10:33 am
G123
NWChem functionality
NWPW Lattice Units?
Started By : Mdsimulationgroup
4 65 Nov 20th 12:31 pm
Bylaska
NWChem functionality
Imposition of constraints did not converge
Started By : Mime
2 64 Nov 17th 2:48 am
Mime
Running NWChem
CPHF Module - ikain not converged
Started By : Sparks
2 78 Nov 15th 2:36 am
Sparks
Running NWChem
trivial date formatting problem in compiling nwchem.F
Started By : Lukeg
1 86 Nov 12th 9:53 am
Edoapra
Compiling NWChem
NWChem NMR calculation fails with "get_dia: nga_create failed g_h11 all " error message
Started By : Tatireddy
2 100 Nov 10th 8:55 pm
Xiongyan21
Running NWChem
dft raman calculation
Started By : Zyzhang
4 105 Nov 8th 2:05 pm
Zyzhang
Running NWChem
Problem building NWChem 6.8.1 on Ubuntu 18.0.4 -- Solved
Started By : Dafemec
2 444 Nov 7th 9:46 am
4rhanes
Compiling NWChem
Segmentation fault in NWChem frequency calculation.
Started By : Zyzhang
9 125 Nov 6th 3:42 pm
Zyzhang
Running NWChem
Install Issues on Windows 101 2
Started By : Hockswender
17 2338 Nov 6th 7:33 am
4rhanes
Compiling NWChem
Contributing problem
Started By : Reeming
5 187 Nov 1st 8:05 am
Reeming
General BSE Topics
mpirun nwchem on Windows Subsystem for Linux?
Started By : Seebol
2 191 Oct 26th 10:02 am
Seebol
Running NWChem
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
7 609 Oct 25th 11:29 am
Edoapra
Feedback
there must be at least two ranks per node
Started By : Jim
4 127 Oct 15th 11:44 am
Edoapra
Running NWChem
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