there must be at least two ranks per node


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Just Got Here
12:56:58 AM PDT - Fri, Oct 12th 2018
Hi,

I setup a system for testing NW, I used NW6.6 on ubuntu18.04 with cuda on single platform. the env setting list as follow.

export USE_MPI=y
export USE_MPIF=y

  1. export MPI_LOC=/opt/mpich
  2. export MPI_LIB=$MPI_LOC/lib
  3. export MPI_INCLUDE=$MPI_LOC/include
  4. export LIBMPI="-lmpich -lopa -lmpl -lrt -lpthread"


export NWCHEM_TOP="/home/test/nwchem-6.6"
export NWCHEM_TARGET="LINUX64"
export ARMCI_NETWORK="MPI-PR"
export NWCHEM_MODULES="all"
export LARGE_FILES="TRUE"
export USE_NOFSCHECK="TRUE"
export FC="gfortran"
export USE_64TO32=y
export BLAS_SIZE=4
export LAPACK_SIZE=4
  1. export SCALAPACK_SIZE=4
  2. export SCALAPACK=-lsci_pgi_mp
export BLASOPT="-L/usr/lib/openblas-base -lopenblas"

export TCE_CUDA=Y
export CUDA_LIBS="-L/usr/local/cuda-10.0/lib64 -lcudart -lcublas -lstdc++"
export CUDA_FLAGS="-arch sm_50"
export CUDA_INCLUDE="-I. -I/usr/local/cuda-10.0/include"
export CUDA="nvcc"

Now, I get the error no matter what cmd I used to run sample.

cmd:
mpirun -np 2 $NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem input.nw or $NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem input.nw

error log:
[0] Received an Error in Communication: (1) there must be at least two ranks per node
application called MPI_Abort(comm=0x84000000, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1


Any insight for it?

Thanks