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Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
7 46 Mar 23rd 12:53 am
Ftorazyne
Compiling NWChem
Convergence problem for gold cluster (electrode)
Started By : Rockyroad
1 31 Mar 5th 3:01 pm
Edoapra
Running NWChem
geometry change between input and output as cube file using dplot
Started By : Braunm
5 40 Mar 1st 11:14 pm
Braunm
NWChem functionality
Failed convergence during ZORA property calculation
Started By : Fperras
2 44 Mar 1st 8:42 am
Fperras
Running NWChem
Ubuntu 18
Started By : Luismiguelvarela
1 40 Feb 28th 12:07 pm
Edoapra
Running NWChem
Frequency Analysis Grid Density Problem
Started By : Sparks
14 403 Feb 21st 4:54 am
Sparks
Running NWChem
Receiving Error 3 on ccsdt(2)_q calculation in tce module
Started By : Hemin
1 46 Feb 20th 4:25 pm
Edoapra
Running NWChem
NMR spin-spin coupling calculation error - 0:nga_acc_common:cannot locate region: fca matrix...
Started By : Attila
1 46 Feb 15th 4:44 pm
Edoapra
Running NWChem
Projecting small basis with ECP?
Started By : Mdsimulationgroup
3 44 Feb 12th 11:35 am
Edoapra
Running NWChem
Compiling NWChem 6.8 on CentOS 7.4 - problems w kernel 3.10.0-693.17.1
Started By : Jwkeller
5 747 Feb 11th 12:13 pm
Jwkeller
Compiling NWChem
Compiling NWChem in Ubuntu - Error MPI
Started By : Diego paschoal
2 98 Feb 5th 8:40 pm
Diego paschoal
Compiling NWChem
NWCHEM 6.8.1 Windows 10 -- Missing DPLOT??
Started By : Ajd42
1 53 Feb 4th 11:03 am
Edoapra
Running NWChem
Compilation of nwchem-6.8 in Mac OS: Error at "make nwchem_config" step
Started By : Sumanc
1 57 Feb 4th 10:52 am
Edoapra
Compiling NWChem
NWChem 6.8.1 with MPI support on Ubuntu 18.04. Help?
Started By : Hrbuchanan
3 159 Jan 23rd 11:05 am
Edoapra
Compiling NWChem
Instructions to build with OpenMPI are outdated
Started By : Yurivict
3 99 Jan 21st 4:48 pm
Edoapra
Compiling NWChem
Problems with negative frequencies
Started By : Sophia.sagala
1 104 Jan 16th 4:12 pm
Edoapra
Running NWChem
run ccsdt error
Started By : Yangli12
7 405 Jan 13th 10:05 pm
Xiongyan21
Running NWChem
*
Started By : Isabelleapo
4 288 Jan 12th 7:13 am
Xiongyan21
Running NWChem
Get error: Last System Error Message from Task 0:: No such file or directory
Started By : Ryan81
11 126 Jan 11th 3:43 pm
Edoapra
Running NWChem
Which keyword let qmmm_freq.nw restart?
Started By : Xiongyan21
2 65 Jan 8th 11:14 am
Edoapra
Running NWChem
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 77 Jan 5th 4:41 pm
Xiongyan21
Compiling NWChem
Issue Comiling NWChem 6.8 on CentOS 7
Started By : Ryan81
1 127 Jan 3rd 1:13 pm
Edoapra
Compiling NWChem
TDDFT Error with "xc new m06-2x"
Started By : Mdsimulationgroup
3 111 Dec 11th 10:58 am
Edoapra
Running NWChem
Restart freq numerical
Started By : LarryVir
2 111 Dec 4th 5:56 am
LarryVir
Running NWChem
SR wPBE functional
Started By : G123
2 117 Nov 30th 11:33 am
G123
NWChem functionality
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