nwchem6.6做SMD，CF3COO- in water，出现报错，unable to get ncenter:: -1

linjiaoshou

脚本：
echo
title "SMD/M06-2X/6-31G(d) solvation free energy for CF3COO- in water"

scratch_dir ./scratch
permanent_dir ./perm

start
charge -1
geometry nocenter
C    0.512211   0.000000  -0.012117
C   -1.061796   0.000000  -0.036672
O   -1.547400   1.150225  -0.006609
O   -1.547182  -1.150320  -0.006608
F    1.061911   1.087605  -0.610341
F    1.061963  -1.086426  -0.612313
F    0.993255  -0.001122   1.266928
symmetry c1
end
basis
* library 6-31G*
end
dft
XC m06-2x
end
cosmo
do_cosmo_smd true
solvent water
end

task dft energy



报错信息：
30:30:bq_rtdb_load                     unable to get ncenter:: -1
(rank:30 hostname:node25 pid:51457):ARMCI DASSERT fail. ../../ga-5.6.3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
13:13:bq_rtdb_load                     unable to get ncenter:: -1
(rank:13 hostname:node25 pid:51440):ARMCI DASSERT fail. ../../ga-5.6.3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
bq_rtdb_load                     unable to get ncenter                   0
------------------------------------------------------------------------
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  current input line :
     0:
------------------------------------------------------------------------
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An error occured in the Runtime Database