[CPMD-list] Different number of iteration optimizing the wavefunction.

[rafapa at us.es]

Dear all,
I have run a calculation in several machines (SGI Altix and Athlon MP). The final result is the same but the number of iteration s needed to optimize the wavefunction varies wildly. On the Altix it takes over 200 cycles whereas on the Athlon takes less than 80. Both runs where done using 4 CPUs. CPMD was compiled with Intel Fortran.

Is this behaviour normal?

Thanks for the attention.

Rafael