[Smeagol-discuss] 64-bit installation
김명자
mjkim9799 at gmail.com
Tue Apr 7 16:56:04 IST 2009
Dear folks
Does Au wire electrode calculation in the Example directory show error in
64-bit machine?
Last part is as follows.
Can you guess that the compilation was successfully done?
It would be grateful If you supply any simple example.
siesta: ===============================
Begin MD step = 1
===============================
superc: Internal auxiliary supercell: 5 x 5 x 3 = 75
superc: Number of atoms, orbitals, and projectors: 150 150 600
iodm: Reading Density Matrix from files
InitMesh: MESH = 32 x 32 x 48 = 49152
InitMesh: Mesh cutoff (required, used) = 300.000 338.365 Ry
* Maximum dynamic memory allocated = 13 MB
MKL ERROR : Parameter 1 was incorrect on entry to ZHEGV
cdiag: ERROR in routine zhegv:
1 -th argument had an illegal value
Terminating due to failed diagonalisation
Stopping Program
Sincerely,
Joonho
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