[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.




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