[DFTB-Plus-User] DFTB+ maximum number of threads
anton_v at nucl.kyushu-u.ac.jp
Tue Mar 15 03:10:01 CET 2016
I have a little bit technical question.
I have compiled DFTB+ code using Intel Fortran compiler with OpenMP
support (-openmp option) to allow multi-threading computation. I have
Core i7 machine with 6 physical cores and 12 threads. However, the
program seems to never use more then six threads. The number of threads
used by program can be successfully controlled by OMP_NUM_THREADS
environment variable from 1 to 6, so OpenMP seems to work fine. However,
if I try to use more (ideally I would like to use all 12 threads to
speed up calculations, I'm trying to work on pretty large cell), it
never does. So, the question is, if there are hard coded limits on the
maximum number of threads the code can use, or there is some trick to
compilation process to make it use more than 6 threads?
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