The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Audrius Alkauskas,

Audrius Alkauskas wrote:
> Hello
>
> I run quite a big system (87 atoms). Everything's OK, there is enough 
> memory, but at the end of the run program refuses to write a WFK file, 
> even though it is only 60 MB or something. Is there an option to 
> increase the limit of the WFK file? That's the message I get:
>
> >  outwf  : write wavefunction to file o_WFK
> >  -P-0000  leave_test : synchronization done...
> >  p0_27114:  p4_error: alloc_p4_msg: Message size exceeds P4s maximum 
> > message size: 570088768

This last error message comes from MPI (the message passing interface,
for parallel runs). You are likely running a P6 cluster, with the MPICH
implementatly of MPI.

You might have to change the maximal
size of messages that you are allowed to transmit with MPI.
Actually, it seems that the WFs are more than 60 MB ?! May be for 1k point
it is 60 MB. How many k points do you have, and how many
processors ... ?

Xavier