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No rule to make NWCHEM target
Started By : Xiongyan21
1 98 Jan 16th 10:49 am
Edoapra
Compiling NWChem
Compiling NWChem 6.8.1 on Mellanox Infiniband cluster with GNU compilers and Intel MPI and MKL
Started By : Valtandor
5 50 Jan 15th 8:16 pm
Valtandor
Compiling NWChem
SCF: movecs_fragment: closed shell mismatch
Started By : Dylanah
1 126 Jan 15th 11:01 am
Edoapra
NWChem functionality
Problem with USE_OFFLOAD
Started By : Epj
11 260 Jan 6th 6:21 am
Epj
Compiling NWChem
esp: bas_rtdb_load failed
Started By : Nwchem scl6
1 166 Nov 21st 9:57 am
Edoapra
General Topics
lmpiblacs problems while compiling on Centos HPC
Started By : Bradjac2
6 255 Nov 6th 8:30 am
Bradjac2
Compiling NWChem
Meaning of nbf_ao .ne. nmo output during CDFT run?
Started By : Jdhoward
1 270 Nov 5th 10:54 am
Edoapra
General Topics
NWChem error
Started By : Koeu
1 155 Nov 5th 10:15 am
Edoapra
Compiling NWChem
Compiling NWCHEM on Ubuntu 12.04.2 LTS (not as administrator)1 2
Started By : John1234
20 955 Oct 28th 6:29 pm
John1234
Compiling NWChem
Size of Cube file
Started By : P99
1 200 Oct 28th 9:44 am
Edoapra
Running NWChem
scf: no. of closed-shell elecrons is not even
Started By : Loganr
1 216 Oct 23rd 9:02 am
Edoapra
Running NWChem
'noautoz'
Started By : Tatireddy
4 2650 Oct 22nd 8:57 am
Edoapra
Running NWChem
Compiling 6.8.1 on CentOS Cluster with OpenMPI
Started By : StanfordFry
1 285 Oct 8th 8:13 am
Edoapra
Compiling NWChem
fon with rodft
Started By : G123
1 306 Sep 23rd 8:48 am
Edoapra
General Topics
Error in DPlot: VIEW and nOrb > 1 conflict
Started By : Marcel
1 330 Sep 9th 12:38 pm
Edoapra
Running NWChem
SCF residual greater than 1d-2 error for Raman calculation
Started By : IGClayson
3 244 Aug 29th 9:01 am
Edoapra
Running NWChem
error load output with gabedit 2.5.0 nwchem 6.8
Started By : Marcel
5 339 Aug 27th 8:24 am
Edoapra
Running NWChem
I/O error for NWCHEM
Started By : Garfield
1 231 Aug 21st 3:28 pm
Edoapra
Running NWChem
Local ECP potential is zero and ignored
Started By : Gncs
4 1173 Aug 21st 8:17 am
Edoapra
Running NWChem
Problems with negative frequencies
Started By : Sophia.sagala
4 784 Aug 19th 2:07 pm
Edoapra
Running NWChem
cphf_solve2 issues for vibrational calculation in version 6.8.1
Started By : IGClayson
3 294 Aug 19th 8:47 am
IGClayson
Running NWChem
Problem in import calc from NWChem/ECCE output file
Started By : Niu
6 4433737 Aug 7th 10:35 am
Edoapra
General ECCE Topics
ioctl error when using nwchem with ase
Started By : Betacentauri
1 270 Aug 5th 11:05 am
Edoapra
Running NWChem
Memory Error
Started By : Gpareras
3 232 Aug 2nd 8:15 am
Edoapra
Running NWChem
Description of geometry in output file
Started By : Sergbuto
1 209 Jul 31st 9:29 am
Edoapra
Running NWChem
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