[CPMD-list] BO-MD starting problem after WFO (at different nubmer of CPUs)

[Vladimir Stegailov]

Dear colleagues,

recently I had a problem that BO-MD runs starting from an optimized WF
should start from optimization process once again. The reason was that I
stored WF with lossy compression (COMPRESS WRITE32).

However now I have got the similar problem again. If the WF optimization
and the subsequent MD run are executed using different number of cpus
(e.g. 8 or 6) – the force initialization before BO-MD tends to fail. As if
the WF has been not optimized at all. 

What could be the reason for that?

Vladimir