[Pw_forum] wf_collect problem
Massimiliano Bonomi
massimiliano.bonomi at mi.infn.it
Fri Feb 4 10:15:46 CET 2005
Dear users,
I'm testing the new option wf_collect in espresso package version 2.1.2
on two different parallel machines.
The first one has a Infiniband network, Intel compiler v. 8.1 and
mpich-vmi 2.0 the second one a Myrinet network with pgi compiler.
In the first case the wf_collect option does work correctly, in the
second the scf calculation stops at this point:
> entering subroutine stress ...
>
> total stress (ryd/bohr**3) (kbar)
P= -0.12
> -0.00007282 0.00000000 0.00000000 -10.71 0.00 0.00
> 0.00000000 -0.00007282 0.00000000 0.00 -10.71 0.00
> 0.00000000 0.00000000 0.00014323 0.00 0.00 21.07
>
>
> Writing file out.save for program phonon
Any idea of the problem??
Thanks in advance.
Massimiliano Bonomi.
More information about the users
mailing list