ICODE-ADC/lammps
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move fftw_cleanup() into LAMMPS::cleanup()

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This commit is contained in:
Christoph Junghans
2020-05-15 13:30:55 -06:00
parent 20ad924a54
commit 58b304be62
3 changed files with 17 additions and 14 deletions
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15
src/lammps.cpp
View File

@ -19,6 +19,9 @@
#include <cctype>
#include <map>
#include <string>
#ifdef FFT_FFTW3
#include <fftw3.h>
#endif
#include "style_angle.h" // IWYU pragma: keep
#include "style_atom.h" // IWYU pragma: keep
#include "style_bond.h" // IWYU pragma: keep
@ -1315,3 +1318,15 @@ void LAMMPS::print_config(FILE *fp)
}
fputs("\n\n",fp);
}
void LAMMPS::cleanup() {
#ifdef FFT_FFTW3
// tell fftw3 to delete its global memory pool
// and thus avoid bogus valgrind memory leak reports
#ifdef FFT_SINGLE
fftwf_cleanup();
#else
fftw_cleanup();
#endif
#endif
}

1
src/lammps.h
View File

@ -79,6 +79,7 @@ class LAMMPS {
void post_create();
void init();
void destroy();
void cleanup();
void print_config(FILE *); // print compile time settings
private:

15
src/main.cpp
View File

@ -19,10 +19,6 @@
#include <fenv.h>
#endif
#ifdef FFT_FFTW3
#include <fftw3.h>
#endif
#if defined(LAMMPS_EXCEPTIONS)
#include "exceptions.h"
#endif
@ -63,18 +59,9 @@ int main(int argc, char **argv)
#else
LAMMPS *lammps = new LAMMPS(argc,argv,MPI_COMM_WORLD);
lammps->input->file();
lammps->cleanup();
delete lammps;
#endif
MPI_Barrier(MPI_COMM_WORLD);
MPI_Finalize();
#ifdef FFT_FFTW3
// tell fftw3 to delete its global memory pool
// and thus avoid bogus valgrind memory leak reports
#ifdef FFT_SINGLE
fftwf_cleanup();
#else
fftw_cleanup();
#endif
#endif
}