با سلام ایمیل دوم را متوجه شدم خوب می شود با آخرین ورژن هم چک کرد ولی در مورد ایمیل سوم خیلی متوجه منظورشان نشدم یعنی فایل ورودی شما به برنامه مشکل دارد؟
On 5/15/14, Nick Papior Andersen <[email protected]> wrote: > 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 >
