I’m trying to do something very basic, which is to output the energy to a dedicated text file for post processing. However, the following line (in a simulation that otherwise works fine):
fix 99 all print 100 “${pe}” file “energy.txt”
Generates the error:
ERROR on proc 0: Substitution for illegal variable (…/input.cpp:533)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
-gideon
I’m trying to do something very basic, which is to output the energy to a
dedicated text file for post processing. However, the following line (in a
simulation that otherwise works fine):
fix 99 all print 100 "${pe}" file "energy.txt"
Generates the error:
ERROR on proc 0: Substitution for illegal variable (../input.cpp:533)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
...and it is a well deserved error message for an obvious. have you
defined a variable called "pe"? no! hence the error.
axel.
Got it. I guess I had expected that since I could refer to pe within a thermo_style command, I could do in the formatted string of a fix print. I gather that everyone, be it a compute or a fix, which could be referenced as c_ID or f_ID has to be recast with a variable in order to be accessed in a fix print?
Got it. I guess I had expected that since I could refer to pe within a
thermo_style command, I could do in the formatted string of a fix print.
a) that makes no sense. you are using a variable expansion (${}) so that
would require a variable. by the same token, you will have to prefix a
variable for thermo output with a v_. so these are very different things.
you may use thermo keywords in variable expressions, that is true.
b) what you are assuming is in contrast to the documentation. the fix print
documentation mentions only variables as additional output.
I gather that everyone, be it a compute or a fix, which could be
referenced as c_ID or f_ID has to be recast with a variable in order to be
accessed in a fix print?
how about reading the documentation for fix print?
axel.