You probably haven't compiled it correctly, if I use the old tbtrans version I get on output similar to this:
K-Points On Nodes: Node Numb. K Pts. Tot. K Pts. 0 10 40 1 10 40 2 10 40 3 10 40 which is for a 4 core machine. Please ensure you have compiled correctly... 2014-05-18 17:10 GMT+00:00 somayeh fotohi <[email protected]>: > 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 > > > -- Kind regards Nick
