[ALPS-users] parallel data computing in the alps code

Michele Dolfi michele.dolfi at gmail.com
Thu Jul 13 13:27:38 CEST 2017


The MPS applications in ALPS do not implement any distributed memory parallelization.

Shared memory parallelism is supported if ALPS is built with OpenMP activated, and/or parallel BLAS library is used.


Best,
Michele




> On 13 Jul 2017, at 12:51, hamid mosadegh <hamid.mosadegh at gmail.com> wrote:
> 
> Dear all
> For the MPS computing with a large bond dimension, I need to use
> parallel computing.
> But when I use the following commends, instead of a parallel data run,
> calculations are repeated several times.
> can alps do these calculations?
> 
> Thanks for you attentions
> 
> #setup environment
> export TOPDIR=$HOME/work/FINAL/
> export MPIPATH=/share/binary/mpich2-1.4.1p1/bin/
> export TMP=/home/scratch/
> 
> # generate nodelist
> cd $TOPDIR
> # setup run
> NP=8
> #NAMDCONF=apoa1.namd
> # run
> $MPIPATH/mpirun -np $NP mps_optim --mpi --write-xml K.in.xml
> 
> 
> -- 
> H. Mosadeq
> Shahr-e-Kord University (SKU),
> Shahr-e-Kord , Iran
> 
> 
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