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[lammps-users] ERROR: Fix ave/time compute does not calculate a vector (../fix_ave_time.cpp:168)
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[lammps-users] ERROR: Fix ave/time compute does not calculate a vector (../fix_ave_time.cpp:168)


From: Mostafa Valadkhani <mostafa.v68@...24...>
Date: Sun, 3 Sep 2017 14:08:20 +0430

Hi
I'm using lammps to compute thermal conductivity  using a very long script due to my geometry but theconsiderable part of script is as :

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.
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fix             M M nve
fix             TH Hot nvt temp 300.0 330.0 0.1 mtk yes
fix             TC Cold nvt temp 300.0 270.0 0.1 mtk yes

compute         T1 1 temp/profile 1 1 1 z 50 out bin
compute         T2 2 temp/profile 1 1 1 z 50 out bin
compute         T3 3 temp/profile 1 1 1 z 50 out bin
compute         T4 4 temp/profile 1 1 1 z 50 out bin
compute         T5 5 temp/profile 1 1 1 z 50 out bin
fix             T all ave/time 1 19000 20000 c_T1 c_T2 c_T3 c_T4 c_T5 mode vector file temp

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.
.


but it ends with the error:

 
ERROR: Fix ave/time compute does not calculate a vector (../fix_ave_time.cpp:168)
Last command: fix             T all ave/time 1 19000 20000 c_T1 c_T2 c_T3 c_T4 c_T5 mode vector file temp

can you help me?

Bests,