[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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