...
Verzija | Modul | Podrška | Paralelizacija | Prevodioc | Knjižnice | Supek | Padobran |
---|
September 30, 2022 R2 Public Release | scientific/gamess/22.09 | CPU | MPI + OpenMP | Cray | Cray | ![check mark button check mark button](/plugins/servlet/twitterEmojiRedirector?id=2705) | ![(error)](/s/l55c0r/9012/ly29vq/_/images/icons/emoticons/error.svg) |
Službena dokumentacija
...
Code Block |
---|
language | bash |
---|
title | test.pbs |
---|
|
#PBS -l select=4:mpiprocs=4:ncpus=4:ompthreads=1
#PBS -l place=scatter |
Note |
---|
PBS resursi mpiprocs i ncpus definirani su po select -u, odnosno po tzv. chunku (komadu čvora). |
...
Warning |
---|
OpenMP za svoju varijablu OMP_NUM_THREADS preuzima (podrazumijeva) vrijednost ncpus . Ako ne koristite OpenMP, nužno je u skripti dodatno definirati i ompthreadsi export OMP_NUM_THREADS=1 , kako bi se pregazila podrazumijevana vrijednost. |
...
U gore prikazanoj PBS_NODEFILE
datoteci možemo uočiti isti rezultat kao u 2. primjeru.
4. primjer
Code Block |
---|
language | bash |
---|
title | test.pbs |
---|
|
#PBS -l select=8
#PBS -l place=pack |
...
Code Block |
---|
language | bash |
---|
theme | Confluence |
---|
title | run.sge |
---|
linenumbers | true |
---|
|
#!/bin/bash
#PBS -q cpu
#PBS -l select=1:mpiprocs=16:ncpus=16:ompthreads
export OMP_NUM_THREADS=1
cd ${PBS_O_WORKDIR}
module load scientific/gamess/22.09
rungms.mpi input.inp |
...
Code Block |
---|
language | bash |
---|
theme | Confluence |
---|
title | run.sge |
---|
linenumbers | true |
---|
|
#!/bin/bash
#PBS -q cpu
#PBS -l select=4:mpiprocs=4:ncpus=4:ompthreads=1
#PBS -l place=scatter
export OMP_NUM_THREADS=1
cd ${PBS_O_WORKDIR}
module load scientific/gamess/22.09
rungms.mpi input.inp |
...