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