Running NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
problem running with >3000 bqs (point charges)
8 2610 May 7th 5:04 pm
Niri
tddft fails
2 2428 May 1st 1:50 pm
Roo464
Can't run scf on water
0 2341 Apr 25th 3:11 pm
Dberry
Symmetry fudging
1 3547 Apr 25th 11:02 am
Bert
Memory problem on AIX
13 8042 Apr 25th 5:28 am
Lmentel
ga_get2eri: cannot allocate scr 2
4 2485 Apr 16th 6:50 pm
Dandelion
surface in NWPW or BAND
0 1789 Apr 13th 10:28 pm
Jbaltrus
CCSD(T) computation
1 2291 Apr 9th 1:29 pm
Bert
Parallel execution takes longer than serial
2 2407 Apr 9th 1:25 pm
Bert
cdft issue
11 5056 Apr 5th 8:50 am
Bert
pspw convergence problem
1 2354 Mar 30th 6:54 pm
Bylaska
Frozen orbitals in TCE
1 1719 Mar 30th 3:34 pm
Bert
Any tips for getting rid of small imag. frequencies?
1 4099 Mar 30th 3:30 pm
Bert
Parallel CDFT Issues
1 1731 Mar 30th 3:25 pm
Bert
DFT Projecting from a Small Basis into a Large Basis
1 3054 Mar 29th 9:08 am
Edoapra
CCSD correlation energy infinite (Molpro works).
3 2786 Mar 20th 1:16 pm
Markaw
SCF memory
2 5009 Mar 11th 11:39 am
Jonathan
xyz with energies
1 1603 Mar 7th 1:16 pm
Bert
TCE crashes
0 1850 Mar 7th 7:25 am
Bob
TDDFT problem using NWCHEM 6.1
3 2809 Mar 2nd 7:46 am
Niri
OpenCL
2 2070 Mar 1st 12:29 pm
Zdm
ARMCI error
7 3710 Mar 1st 11:16 am
Bert
Problems with B3LYP-D3 frequency calculation
2 5561 Mar 1st 7:10 am
Stigrs
Error When Running DNTMC module
5 2495 Feb 22nd 4:16 pm
Edoapra
0:0:dai_write_param: filename too long::: 97
5 3989 Feb 12th 6:54 am
Jbaltrus
TDDFT aborts
2 1913 Feb 12th 6:52 am
Jbaltrus

Forum >> NWChem's corner >> Running NWChem
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