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change behavior with respect to OpenMP versus the regular LAMMPS executable

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since the shell is not meant to be run with MPI we can use all threads by default.
This commit is contained in:
Axel Kohlmeyer
2020-10-13 16:56:49 -04:00
parent bdb4334210
commit 114dd48779
1 changed files with 18 additions and 1 deletions
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19
tools/lammps-shell/lammps-shell.cpp
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@ -33,14 +33,20 @@
#include <signal.h> #include <signal.h>
#endif #endif
#if defined(_OPENMP)
#include <omp.h>
#endif
#include <readline/history.h> #include <readline/history.h>
#include <readline/readline.h> #include <readline/readline.h>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
const int buflen = 512; char *omp_threads = nullptr;
const int buflen = 512;
char buf[buflen]; char buf[buflen];
void *lmp = nullptr; void *lmp = nullptr;
enum { enum {
ATOM_STYLE, ATOM_STYLE,
INTEGRATE_STYLE, INTEGRATE_STYLE,
@ -672,6 +678,17 @@ int main(int argc, char **argv)
std::cout << "WARNING: LAMMPS was compiled without exceptions\n" std::cout << "WARNING: LAMMPS was compiled without exceptions\n"
"WARNING: The shell will terminate on errors.\n"; "WARNING: The shell will terminate on errors.\n";
#if defined(_OPENMP)
int nthreads = omp_get_max_threads();
#else
int nthreads = 1;
#endif
// avoid OMP_NUM_THREADS warning and change the default behavior
// to use the maximum number of threads available since this is
// not intended to be run with MPI.
omp_threads = dupstring(std::string("OMP_NUM_THREADS=" + std::to_string(nthreads)));
putenv(omp_threads);
lmp = lammps_open_no_mpi(argc, argv, nullptr); lmp = lammps_open_no_mpi(argc, argv, nullptr);
if (lmp == nullptr) return 1; if (lmp == nullptr) return 1;