This shows you the differences between two versions of the page.
Next revision | Previous revision Next revision Both sides next revision | ||
qe [2020/03/04 17:33] root created |
qe [2020/03/06 22:49] root |
||
---|---|---|---|
Line 1: | Line 1: | ||
===qe/ | ===qe/ | ||
+ | |||
+ | With version 6.5 from github, | ||
+ | |||
+ | < | ||
+ | module load intel/ | ||
+ | $ ./ | ||
+ | MPIF90=mpiifort F90=ifort F77=ifort FC=ifort CC=icc | ||
+ | SCALAPACK_LIBS=" | ||
+ | LAPACK_LIBS=" | ||
+ | BLAS_LIBS=" | ||
+ | FFT_LIBS=" | ||
+ | FCFLAGS=" | ||
+ | CCFLAGS=" | ||
+ | -D__INTEL -D__GNUC__ -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK" | ||
+ | --with-hdf5=/ | ||
+ | --with-scalapack=intel --enable-openmp --enable-parallel \ | ||
+ | --prefix=/ | ||
+ | make pw | ||
+ | make all | ||
+ | </ | ||
+ | Using the AUSURF112 benchmark, running on single nodes of trestles and razor: | ||
+ | < | ||
+ | OMP_NUM_THREADS=1 mpirun -np 32 / | ||
+ | OMP_NUM_THREADS=1 mpirun -np 32 / | ||
+ | OMP_NUM_THREADS=1 mpirun -np 16 / | ||
+ | OMP_NUM_THREADS=1 mpirun -np 16 / | ||
+ | OMP_NUM_THREADS=2 mpirun -np 8 / | ||
+ | </ | ||
+ | with results | ||
+ | <csv> | ||
+ | System, OMP, MPI, npools, walltime | ||
+ | trestles, 1, 32, 1, 867 | ||
+ | trestles, 1, 32, 2, 837 | ||
+ | reazor, 1, 16, 1, 690 | ||
+ | razor, 1, 16, 2, did not run | ||
+ | razor, 2, 8, 1, 1073 | ||
+ | </ | ||