fix avg/time mode vector error

Hi

I am attempting to calculate an RDF which is something I have done many times before. However, on the newest version of the code, (11 Aug 17) I get the following error:

ERROR: Fix ave/time compute does not calculate a vector (…/fix_ave_time.cpp:168)
Last command: fix 40 all ave/time 1 2000 10000 c_myRDF1 file waterbox_square_clayff_equil.rdf mode vector

I do not get this error on previous versions of the code. Specifically the 16Feb16 and the 30May16 versions. On those versions the calculation works just fine. Has the operation of the compute or the operation of fix avg/time changed? or is this a version bug?

thanks
matthew

waterbox_square_clayff.inp (2.41 KB)

waterbox_square_clayff.data (6.64 KB)

Hi

I am attempting to calculate an RDF which is something I have done many
times before. However, on the newest version of the code, (11 Aug 17) I get
the following error:

ERROR: Fix ave/time compute does not calculate a vector
(../fix_ave_time.cpp:168)
Last command: fix 40 all ave/time 1 2000 10000 c_myRDF1 file
waterbox_square_clayff_equil.rdf mode vector

I do not get this error on previous versions of the code. Specifically the
16Feb16 and the 30May16 versions. On those versions the calculation works
just fine. Has the operation of the compute or the operation of fix
avg/time changed? or is this a version bug?

​probably the former. please review the documentation.

axel.​

I checked the online manual there was no change. Not sure which documentation you suggest.

matthew

I checked the online manual there was no change. Not sure which
documentation you suggest.

​the ones for fix ave/time and compute rdf. i am pretty certain, that there
was a change. please look closer​ and compare your input with the docs more
carefully.

axel.

The doc page for compute rdf says it outputs an array. Your fix ave/time

command is accessing it as if it were a vector. Hence the

error message. It is saying the compute (rdf) does

not compute a vector.

Steve