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yangwenbin99

铜虫 (小有名气)

[求助] lammps错误指正

#######    poly one layer property ###################
fix                fSpaPolyStress_onelay gPoly ave/spatial 1 5000 5000 x 0.0 1.0 y 0.0 1.0 z 0.0 1.0 c_cStAtPoly[1] c_cStAtPoly[2] c_cStAtPoly[3] c_cStAtPoly[4] c_cStAtPoly[5] c_cStAtPoly[6] units reduced norm sample ave window 5 file Output_PolyStress_Zonelayer_Zdim.PushForce${vForce}_Shear${vShear}

variable        vPolyOneLayStressXX equal (f_fSpaPolyStress_onelay[1][5]/v_vPolyVol)*v_vPolyAtNum
variable        vPolyOneLayStressYY equal (f_fSpaPolyStress_onelay[1][6]/v_vPolyVol)*v_vPolyAtNum
variable        vPolyOneLayStressZZ equal (f_fSpaPolyStress_onelay[1][7]/v_vPolyVol)*v_vPolyAtNum
variable        vPolyOneLayStressXY equal (f_fSpaPolyStress_onelay[1][8]/v_vPolyVol)*v_vPolyAtNum
variable        vPolyOneLayStressXZ equal (f_fSpaPolyStress_onelay[1][9]/v_vPolyVol)*v_vPolyAtNum
variable        vPolyOneLayStressYZ equal (f_fSpaPolyStress_onelay[1][10]/v_vPolyVol)*v_vPolyAtNum

variable        vShearRate equal v_vShear/v_vPolyLenZ  #1/picoseconds
variable        vViscosity equal v_vPolyOneLayStressXZ/v_vShearRate #bars.picoseonds
variable        vFriction equal v_vPolyOneLayStressXZ/v_vPolyOneLayStressZZ
fix                 fprint all print 5000 "${vStep} ${vFriction} ${vShearRate} ${vViscosity} ${vPolyOneLayStressXX} ${vPolyOneLayStressYY} ${vPolyOneLayStressZZ} ${vPolyOneLayStressXY} ${vPolyOneLayStressXZ} ${vPolyOneLayStressYZ}" screen no file Output_OneLayPoly.PushForce${vForce}_Shear${vShear}

#####################################################
dump                dumpAllAtom all atom 10000 Output_DumpAllAtom.PushForce${vForce}_Shear${vShear}.lammpstrj

dump_modify        dumpAllAtom append yes

run                 2000000
运行这段时出现报警
#####################################################
dump                dumpAllAtom all atom 10000 Output_DumpAllAtom.PushForce${vForce}_Shear${vShear}.lammpstrj
dump                dumpAllAtom all atom 10000 Output_DumpAllAtom.PushForce0.0256385733_Shear${vShear}.lammpstrj
dump                dumpAllAtom all atom 10000 Output_DumpAllAtom.PushForce0.0256385733_Shear0.1.lammpstrj

dump_modify        dumpAllAtom append yes

run                 2000000
WARNING: One or more atoms are time integrated more than once
Memory usage per processor = 10.7241 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
1000000    293.33568   -8684.8822    26.956317   -8550.2806   -4489.6865    43454.026
ERROR: Variable formula fix array is accessed out-of-range
如何改正,各位大仙帮忙
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jiaoyixiong

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错误: Variable formula fix array is accessed out-of-range

http://muchong.com/bbs/viewthread.php?tid=3946850
3楼2013-03-21 10:22:03
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