ERROR: Fix ave/time compute does not calculate a vector

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1

Dear all

I see the following error that I can not recognize what the problem is. I would appreciate if I have your help.

-------------------------------------------Error --------------------------------------------

ERROR: Fix ave/time compute does not calculate a vector (…/fix_ave_time.cpp:168)
Last command: fix allbNaRdfavg100ps${Index} all ave/time 1 100000 100000 c_allNaRDF${Index} file CaRDF100ps${sname}${Index} mode vector
--------------------------------------------CODE…

compute allNaRDF${Index} all rdf ${BinNo} 5 1

fix allbNaRdfavg100ps${Index} all ave/time 1 100000 100000 c_allNaRDF${Index} file CaRDF100ps.{sname}.{Index} mode vector

2

compute rdf computes a global array not a vector, that is you have a list of vectors and have to adjust the fix ave/time command accordingly to process those multiple vectors.
there is an example in the documentation for compute rdf, which uses the [*] syntax to include all vectors.

axel.