\(\renewcommand{\AA}{\text{Å}}\)

1.1.8. Configuration information

This section documents the following functions:

• lammps_version()

• lammps_get_os_info()

• lammps_config_has_mpi_support()

• lammps_config_has_omp_support()

• lammps_config_has_gzip_support()

• lammps_config_has_png_support()

• lammps_config_has_jpeg_support()

• lammps_config_has_ffmpeg_support()

• lammps_config_has_exceptions()

• lammps_config_has_package()

• lammps_config_package_count()

• lammps_config_package_name()

• lammps_config_accelerator()

• lammps_has_gpu_device()

• lammps_gpu_device_info()

• lammps_has_style()

• lammps_style_count()

• lammps_style_name()

• lammps_has_id()

• lammps_id_count()

• lammps_id_name()

---

These library functions can be used to query the LAMMPS library for compile time settings and included packages and styles. This enables programs that use the library interface to determine whether the linked LAMMPS library is compatible with the requirements of the application without crashing during the LAMMPS functions (e.g. due to missing pair styles from packages) or to choose between different options (e.g. whether to use lj/cut, lj/cut/opt, lj/cut/omp or lj/cut/intel). Most of the functions can be called directly without first creating a LAMMPS instance. While crashes within LAMMPS may be recovered from by enabling exceptions, avoiding them proactively is a safer approach.

Example for using configuration settings functions

#include "library.h"
#include <stdio.h>

int main(int argc, char **argv)
{
  void *handle;

  handle = lammps_open_no_mpi(0, NULL, NULL);
  lammps_file(handle, "in.missing");
  if (lammps_has_error(handle)) {
    char errmsg[256];
    int errtype;
    errtype = lammps_get_last_error_message(handle, errmsg, 256);
    fprintf(stderr, "LAMMPS failed with error: %s\n", errmsg);
    return 1;
  }
  /* write compressed dump file depending on available of options */
  if (lammps_has_style(handle, "dump", "atom/zstd")) {
    lammps_command(handle, "dump d1 all atom/zstd 100 dump.zst");
  } else if (lammps_has_style(handle, "dump", "atom/gz")) {
    lammps_command(handle, "dump d1 all atom/gz 100 dump.gz");
  } else if (lammps_config_has_gzip_support()) {
    lammps_command(handle, "dump d1 all atom 100 dump.gz");
  } else {
    lammps_command(handle, "dump d1 all atom 100 dump");
  }
  lammps_close(handle);
  return 0;
}

---

int lammps_version(void *handle)

---

void lammps_get_os_info(char *buffer, int buf_size)

---

int lammps_config_has_mpi_support()

---

int lammps_config_has_omp_support()

---

int lammps_config_has_gzip_support()

---

int lammps_config_has_png_support()

---

int lammps_config_has_jpeg_support()

---

int lammps_config_has_ffmpeg_support()

---

int lammps_config_has_exceptions()

---

int lammps_config_has_package(const char*)

---

int lammps_config_package_count()

---

int lammps_config_package_name(int, char*, int)

---

int lammps_config_accelerator(const char*, const char*, const char*)

---

int lammps_has_gpu_device()

---

void lammps_get_gpu_device_info(char *buffer, int buf_size)

---

int lammps_has_style(void*, const char*, const char*)

---

int lammps_style_count(void*, const char*)

---

int lammps_style_name(void*, const char*, int, char*, int)

---

int lammps_has_id(void*, const char*, const char*)

---

int lammps_id_count(void*, const char*)

---

int lammps_id_name(void*, const char*, int, char*, int)