[Octopus-users] error during td calculation
Abraham Alaka
aoa101@ohm.york.ac.uk
Thu, 02 Sep 2004 12:00:16 +0100
Hi all, has anyone come across this error message before?
Type = parallelepiped
Lengths [A] = ( 6.500, 2.000, 4.000)
Spacing [A] = ( 0.813, 0.667, 0.800) volume/point [A^3] = 0.43333
# inner mesh = 1309
Grid Cutoff [eV] = 56.961
Info: Derivatives calculated in real-space
Info: Vlocal Cutoff = sphere
Info: FFT allocated with size ( 35, 15, 21) in slot 1
Info: Vlocal Cutoff Radius [A] = 14.218750
Info: Vlocal Cutoff Radius [A] = 14.218750
Info: Using FFTs with spherical cutoff to solve Poisson equation .
Info: FFT allocated with size ( 35, 35, 35) in slot 2
Info: Poisson Cutoff Radius [A] = 14.218750
Info: Exchange and correlation
Exchange : LDA - non-relat.
Correlation : LDA - PZ81
Info: Setting up TD.
Info: Evolution method: Enforced Time-Reversal Symmetry
Info: Exponential method: 4th order expansion.
Info: Initializing zpsi.
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*** Fatal Error (description follows)
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* No luns available in io_assign
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