[CPMD-list] PIMD AND OPENMP
A.Alaka
aoa101 at york.ac.uk
Sun Aug 8 17:13:09 CEST 2004
I think the problem I posted earlier had more to do with not being able
to read the occupation and eigenvalues from the restart file. This is a
problem I have posted about before. I.e the occupation and eigenvalues
being absent from a restart file after a wavefunction optimisation.
Has anyone else had this problem? This is all the more surprising
because I get the same problem when using (slightly) modified test input
files. I've done previous calculations on clusters without this problem.
Any ideas?
Thanks in advance.
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