[CPMD-list] Restart files of PIMD

[Per Andersson]

   Dear Everyone


I have with some success run some MD CP calculations of 54 atoms of H
but I would like to try PIMD on the same system. After reading the
manual and the references therein I still have severe problems.
Unfortunately the cluster where I run my calculations has no
network connection so I have no input or output listings to show.

If I understand this correctly you have to converge the wavefunction
in a static run and restart the MD using
RESTART WAVEFUNCTIONS COORDINATES VELOCITIES (or at least 
wavefunctions). This works fine for MD CP. When I try PIMD I add
INITIALIZATION in the &PIMD-section, PATH INTEGRALS in the
&CPMD-section and restart with the same
options as before. I have tried to restart from both the
static calculation and the MD CP calculation with the same result.
I get the error message

RESTART INFORMATION FOUND ON FILE   ./RESTART_1

ZHRWF| RESTART FILE NOT FOUND:   ./RESTART_2

As far as I understand there will be one restart file for
each replica after a PIMD calculation. If they are needed
before as well, how do I generate them?

Yours

Per Andersson