thanks for your reply. but the output of tbtrans in serial mode and parallel mode is the same. must I add any command to the input file of tbtrans?
On Sunday, May 18, 2014 6:35 PM, Nick Papior Andersen <[email protected]> wrote: Incorrect, tbtrans is parallel. Even the old version did run in parallel, but only across k-points, the new version is parallelized across energy-points. Check the output of tbtrans to see if you really have enabled the parallel version. 2014-05-18 5:47 GMT+02:00 Mahmoud Hammouri <[email protected]>: Tbtrans runs only on serial mode > >Sent from my iPhone > >On May 17, 2014, at 9:45 PM, "somayeh fotoohi" <[email protected]> >wrote: > > >Dear siesta users, >>I have compiled siesta-3.2-pl-4 in parallel on cluster, it works well. >>For compiling tbtrans, I used the command sh build_all.sh in >>…/siesta-3.2-pl-4/Util direction, So the tbtrans was built. >>I run the program that has 51 Transport K-points. >> >> >>The problem is that the speed of calculation doesn’t increase in parallel >>mode compared to the serial mode. >>I submitted my job using the scripting files that include the below lines: >>[fotoohi@cluster 0]$ cat test-tbtrans.pbs >>#! /bin/sh >>#PBS -N tbtrans-example >>#PBS -j oe >>#PBS -l nodes=1:ppn=8 >>#PBS -M [email protected] >>#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 /home/fotoohi/siesta-3.2-pl-4/Util/TBTrans/tbtrans <scat.fdf > >>scat.out.tbt >>echo job finish in `date` >>I want to know whether tbtrans support parallel runs or not!! Please help me. >>Thanks in advance. >>Somayeh Fotoohi -- Kind regards Nick
