نسخه جدیدی که فرموده بودند را هم نصب کردم اگر لطف کنید و خودتان چک کنید ممنون می شوم منتظر نتیجه تست تان هستم با تشکر
On 5/16/14, k.manzoorolajdad <[email protected]> wrote: > 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 >> >
