Where exactly am I supposed to define LAMMPS_QSORT and
how can I be sure to have the qsort-sorting activated?
For now I compiled LAMMPS (single thread) with
CCFLAGS = -g -O3 -DLAMMPS_QSORT
*and*
LMP_INC = -DLAMMPS_QSORT -DLAMMPS_GZIP ...
Is there a quick test to see if qsort is being used?
BTW: I got a toy example showing the error within 3h on
my desktop machine (will post after soting out the qsort
issue).
M.
This sounds like you have found a hard to reproduce bug with the sorting
method. I cannot easily check the source right now, but you should be
able to revert to a (slower) sort method when compiling with
-DLAMMPS_QSORT or something similar.
Please let me know if that makes a difference.
Where exactly am I supposed to define LAMMPS_QSORT and
how can I be sure to have the qsort-sorting activated?
i just checked with the source code. i have misremembered the exact name of the define. it has to be -DLMP_QSORT
For now I compiled LAMMPS (single thread) with
CCFLAGS = -g -O3 -DLAMMPS_QSORT
and
LMP_INC = -DLAMMPS_QSORT -DLAMMPS_GZIP …
just adding -DLMP_QSORT to LMP_INC should suffice.
Is there a quick test to see if qsort is being used?
nm lmp_ | grep qsort
on my machine i get with -DLMP_QSORT enabled.
nm lmp_mpi | grep qsort
U qsort@@GLIBC_2.2.5
and without:
nm lmp_mpi | grep qsort
axel.