You don't have any atomic coordinates!
2014-05-15 15:54 GMT+02:00 somayeh fotoohi <[email protected]>: > *Dear siesta users, * > > > > I have installed parallel version of siesta-3.2 on cluster and run my > program. > > > > The calculation started normally, but it suddenly stopped. > > > > I have attached the input and output files as well as arch.make file that > use for installing siesta-3.2 in parallel ( please see the attached files) . > > > > Also, I submitted my job by scripting file that include the below lines: > > ! /bin/sh > > #PBS -N siesta-example > > #PBS -j oe > > #PBS -l nodes=1:ppn=8 > > #PBS -M ######## > > #PBS -m abe > > > > source /opt/intel/bin/compilervars.sh intel64 > > module load openmpi-x86_64 > > mpd & > > cat $PBS_NODEFILE > > cd $PBS_O_WORKDIR > > echo job start in `date` > > mpiexec -np 8 ~/siesta-3.2/Obj/siesta <scat.fdf > scat.out > > echo job finish in `date > > > > Do you have any idea to solve the problem? > > > > *Thanks in advance.* > > *Somayeh fotoohi* > > > -- Kind regards Nick
