Don't allow mixed-precision appending
Apparently you can get mixed precision energy files from appending - see thread http://lists.gromacs.org/pipermail/gmx-users/2012-February/068568.html - which then creates problems later.
I think this should be prevented with an overridable warning.
Also, shouldn't the trajectory and energy file reading routines be able to detect a change of precision and cope gracefully, emitting warnings?
checkpoint files now contain a double precision flag
It was difficult to extract the precision from a checkpoint file.
Now a double precision flag has been added, as well as a fatal error
when mdrun tries to append output files of different precision.
#4 Updated by Mark Abraham over 7 years ago
open_enx with do_eheader probes the energy file for precision, so I don't think Rossen's assertion is wholly true, thus I don't think deferral to 4.6 is warranted for that reason. Isn't preventing mixed-precision appending simply a matter of opening the energy file for reading, deducing the precision and comparing it with the run-time precision?