[Pw_forum] forces in parallel espresso 3.0

Andrea Floris afloris at physik.fu-berlin.de
Tue Feb 7 21:06:06 CET 2006


Dear users,
I am running in parallel a scf calculation,
with the setup:

pwscf version: 3.0
compiler: pgi 5.2-4
mpi: mpich2
system: cluster OPTERON 64-bit

I want to report that within my setup, pw.x  crashes when it calculates
the forces, (i.e. when including tprnfor = .true. in the namelist
&control), producing
the message:
----------------------
.....
rank 3 in job 1 n34_16977 caused
collective abort of all ranks exit status of rank 3: killed by signal 11
rank 2 in job 1 n34_16977 caused collective abort of all ranks
  exit status of rank 2: killed by signal 11
rank 1 in job 1  n34_16977   caused collective abort of all ranks
  exit status of rank 1: killed by signal 11
------------------------

With previous versions this doesn't happen. And it doesn't happen also
with version 3.0 running in serial...
Has this happened in other setup?

many thanks
ciao,
Andrea



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