[Pw_forum] problem with phonon code
damien
damien.connetable at ensiacet.fr
Mon Dec 12 14:46:04 CET 2011
How to do this?
Is there a specific option with espresso?
Above, you will find the pbs script for the machine.
sincerely
damien connétable
#!/bin/sh
#PBS -l select=4:ncpus=8:mpiprocs=8
#PBS -l place=excl
#PBS -l walltime=50:00:00
#PBS -N test
#PBS -m abe
#PBS -j eo
#PBS -M damien.connetable at ensiacet.fr
cd $PBS_O_WORKDIR
cp $PBS_NODEFILE nodes
uniq nodes
export OMP_NUM_THREADS=1
export MPI_GROUP_MAX=64
mpiexec_mpt -np 32 pw.x -npool 4 < scf.in > scf.out
mpiexec_mpt -np 32 ph.x -npool 4 < ph.in > ph.out
Le 12/12/2011 14:21, Paolo Giannozzi a écrit :
> On Mon, 2011-12-12 at 12:55 +0100, damien wrote:
>
>> from diropn : error # 99
>> error opening yalo3.mixd
>> Maybe it is specific to the machine (cluster Altix ICE 8200 with 352 nodes)?
> more likely, to the file system. Are you writing to a parallel file
> system? Try to write to a file system that is local to each CPU
>
> P.
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