TDDFT problem using NWCHEM 6.1

echo

START h2o

TITLE "TDDFT B3LYP/3-21G* H2O"

memory total 400 mb

geometry units au

 O  0       0      0

 H  1.430   0.0    1.1

 H -1.430   0.0    1.1

end

BASIS

 * library 3-21G*

END

DFT

 XC B3LYP

 grid fine

END

TDDFT

 rpa

 NROOTS 20

 notriplet

 thresh 1.0d-05

END

task tddft energy

permanent_dir /media/DSK_1/pernwc

scratch_dir   /media/DSK_2/scrnwc

0:0:Too small a subspace:: 40

1:1:Too small a subspace:: 40

(rank:1 hostname:antares2 pid:9906):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0

2:2:Too small a subspace:: 40

(rank:2 hostname:antares2 pid:9907):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0

(rank:0 hostname:antares2 pid:9905):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0

3:3:Too small a subspace:: 40

(rank:3 hostname:antares2 pid:9908):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0

export NWCHEM_TOP=$HOME/nwchem-6.1

export LARGE_FILES=TRUE

export TCGRSH=/usr/bin/ssh

export NWCHEM_TARGET=LINUX64

export NWCHEM_MODULES=all

export ENABLE_COMPONENT=yes

export USE_MPI=yes

export USE_MPIF=yes

export USE_MPIF4=yes

export MPI_HOME=/opt/mpich2-1.4.1p1

export MPI_LOC=$MPI_HOME

export MPI_LIB=$MPI_LOC/lib

export MPI_INCLUDE=$MPI_LOC/include

export LIBMPI='-lfmpich -lmpich -lmpichf90 -lopa -lmpl -lrt -lpthread'

export HAS_BLAS=yes

export BLASOPT='-L/opt/intel/Compiler/11.1/072/mkl/lib/em64t -lmkl_intel_ilp64 -lmkl_solver_ilp64_sequential -lmkl_sequential -lmkl_core  -lpthread'

export LIB_DEFINES=-DDFLT_TOT_MEM=16777216

export FOPTIMIZE='-O3 -xSSE2,SSE3,SSSE3,SSE4.1,SSE4.2 -no-prec-div -funroll-loops -unroll-aggressive'

export COPTIMIZE='-O3 -xSSE2,SSE3,SSSE3,SSE4.1,SSE4.2 -no-prec-div -funroll-loops'