From bbb355b1f5efdf0225e6d44f1893fcdfd32e4f61 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 10 Feb 2021 00:29:39 -0500 Subject: [PATCH] check error status of calls to Python and if they failed print error and terminate --- src/PYTHON/fix_python_invoke.cpp | 23 ++++++++----- src/PYTHON/fix_python_move.cpp | 55 +++++++++++++++++++++----------- 2 files changed, 51 insertions(+), 27 deletions(-) diff --git a/src/PYTHON/fix_python_invoke.cpp b/src/PYTHON/fix_python_invoke.cpp index 6fbd43cbd9..23c4197dca 100644 --- a/src/PYTHON/fix_python_invoke.cpp +++ b/src/PYTHON/fix_python_invoke.cpp @@ -17,6 +17,7 @@ #include "fix_python_invoke.h" +#include "comm.h" #include "error.h" #include "lmppython.h" #include "python_compat.h" @@ -52,14 +53,14 @@ FixPythonInvoke::FixPythonInvoke(LAMMPS *lmp, int narg, char **arg) : // get Python function PyGILState_STATE gstate = PyGILState_Ensure(); - PyObject * pyMain = PyImport_AddModule("__main__"); + PyObject *pyMain = PyImport_AddModule("__main__"); if (!pyMain) { PyGILState_Release(gstate); error->all(FLERR,"Could not initialize embedded Python"); } - char * fname = arg[5]; + char *fname = arg[5]; pFunc = PyObject_GetAttrString(pyMain, fname); if (!pFunc) { @@ -83,13 +84,16 @@ void FixPythonInvoke::end_of_step() { PyGILState_STATE gstate = PyGILState_Ensure(); - PyObject * ptr = PY_VOID_POINTER(lmp); - PyObject * arglist = Py_BuildValue("(O)", ptr); + PyObject *ptr = PY_VOID_POINTER(lmp); + PyObject *arglist = Py_BuildValue("(O)", ptr); - PyObject * result = PyEval_CallObject((PyObject*)pFunc, arglist); + PyObject *result = PyEval_CallObject((PyObject*)pFunc, arglist); Py_DECREF(arglist); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) + error->all(FLERR,"Fix python/invoke end_of_step() method failed"); } /* ---------------------------------------------------------------------- */ @@ -100,11 +104,14 @@ void FixPythonInvoke::post_force(int vflag) PyGILState_STATE gstate = PyGILState_Ensure(); - PyObject * ptr = PY_VOID_POINTER(lmp); - PyObject * arglist = Py_BuildValue("(Oi)", ptr, vflag); + PyObject *ptr = PY_VOID_POINTER(lmp); + PyObject *arglist = Py_BuildValue("(Oi)", ptr, vflag); - PyObject * result = PyEval_CallObject((PyObject*)pFunc, arglist); + PyObject *result = PyEval_CallObject((PyObject*)pFunc, arglist); Py_DECREF(arglist); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) + error->all(FLERR,"Fix python/invoke post_force() method failed"); } diff --git a/src/PYTHON/fix_python_move.cpp b/src/PYTHON/fix_python_move.cpp index 18047b794e..5425b78193 100644 --- a/src/PYTHON/fix_python_move.cpp +++ b/src/PYTHON/fix_python_move.cpp @@ -17,6 +17,7 @@ #include "fix_python_move.h" +#include "comm.h" #include "error.h" #include "lmppython.h" #include "python_compat.h" @@ -42,13 +43,13 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) : PyGILState_STATE gstate = PyGILState_Ensure(); // add current directory to PYTHONPATH - PyObject * py_path = PySys_GetObject((char *)"path"); + PyObject *py_path = PySys_GetObject((char *)"path"); PyList_Append(py_path, PY_STRING_FROM_STRING(".")); // create integrator instance - char * full_cls_name = arg[3]; - char * lastpos = strrchr(full_cls_name, '.'); + char *full_cls_name = arg[3]; + char *lastpos = strrchr(full_cls_name, '.'); if (lastpos == nullptr) { error->all(FLERR,"Fix python/integrate requires fully qualified class name"); @@ -57,14 +58,14 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) : size_t module_name_length = strlen(full_cls_name) - strlen(lastpos); size_t cls_name_length = strlen(lastpos)-1; - char * module_name = new char[module_name_length+1]; - char * cls_name = new char[cls_name_length+1]; + char *module_name = new char[module_name_length+1]; + char *cls_name = new char[cls_name_length+1]; strncpy(module_name, full_cls_name, module_name_length); module_name[module_name_length] = 0; strcpy(cls_name, lastpos+1); - PyObject * pModule = PyImport_ImportModule(module_name); + PyObject *pModule = PyImport_ImportModule(module_name); if (!pModule) { PyErr_Print(); PyErr_Clear(); @@ -86,9 +87,9 @@ FixPythonMove::FixPythonMove(LAMMPS *lmp, int narg, char **arg) : delete [] module_name; delete [] cls_name; - PyObject * ptr = PY_VOID_POINTER(lmp); - PyObject * arglist = Py_BuildValue("(O)", ptr); - PyObject * py_move_obj = PyObject_CallObject(py_move_type, arglist); + PyObject *ptr = PY_VOID_POINTER(lmp); + PyObject *arglist = Py_BuildValue("(O)", ptr); + PyObject *py_move_obj = PyObject_CallObject(py_move_type, arglist); Py_DECREF(arglist); if (!py_move_obj) { @@ -136,10 +137,12 @@ void FixPythonMove::init() PyErr_Print(); PyErr_Clear(); PyGILState_Release(gstate); - error->all(FLERR,"Could not find 'init' method'"); + error->all(FLERR,"Could not find 'init()' method'"); } - PyObject * result = PyEval_CallObject(py_init, nullptr); + PyObject *result = PyEval_CallObject(py_init, nullptr); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move init() method failed"); } /* ---------------------------------------------------------------------- */ @@ -155,10 +158,13 @@ void FixPythonMove::initial_integrate(int vflag) PyGILState_Release(gstate); error->all(FLERR,"Could not find 'initial_integrate' method'"); } - PyObject * arglist = Py_BuildValue("(i)", vflag); - PyObject * result = PyEval_CallObject(py_initial_integrate, arglist); + PyObject *arglist = Py_BuildValue("(i)", vflag); + PyObject *result = PyEval_CallObject(py_initial_integrate, arglist); Py_DECREF(arglist); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move initial_integrate() " + "method failed"); } /* ---------------------------------------------------------------------- */ @@ -174,8 +180,11 @@ void FixPythonMove::final_integrate() PyGILState_Release(gstate); error->all(FLERR,"Could not find 'final_integrate' method'"); } - PyObject * result = PyEval_CallObject(py_final_integrate, nullptr); + PyObject *result = PyEval_CallObject(py_final_integrate, nullptr); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move final_integrate() method " + "failed"); } /* ---------------------------------------------------------------------- */ @@ -191,10 +200,13 @@ void FixPythonMove::initial_integrate_respa(int vflag, int ilevel, int iloop) PyGILState_Release(gstate); error->all(FLERR,"Could not find 'initial_integrate_respa' method'"); } - PyObject * arglist = Py_BuildValue("(iii)", vflag, ilevel, iloop); - PyObject * result = PyEval_CallObject(py_initial_integrate_respa, arglist); + PyObject *arglist = Py_BuildValue("(iii)", vflag, ilevel, iloop); + PyObject *result = PyEval_CallObject(py_initial_integrate_respa, arglist); Py_DECREF(arglist); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move initial_integrate_respa() " + "method failed"); } /* ---------------------------------------------------------------------- */ @@ -210,10 +222,13 @@ void FixPythonMove::final_integrate_respa(int ilevel, int iloop) PyGILState_Release(gstate); error->all(FLERR,"Could not find 'final_integrate_respa' method'"); } - PyObject * arglist = Py_BuildValue("(ii)", ilevel, iloop); - PyObject * result = PyEval_CallObject(py_final_integrate_respa, arglist); + PyObject *arglist = Py_BuildValue("(ii)", ilevel, iloop); + PyObject *result = PyEval_CallObject(py_final_integrate_respa, arglist); Py_DECREF(arglist); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move final_integrate_respa() " + "method failed"); } /* ---------------------------------------------------------------------- */ @@ -229,6 +244,8 @@ void FixPythonMove::reset_dt() PyGILState_Release(gstate); error->all(FLERR,"Could not find 'reset_dt' method'"); } - PyObject * result = PyEval_CallObject(py_reset_dt, nullptr); + PyObject *result = PyEval_CallObject(py_reset_dt, nullptr); + if (!result && (comm->me == 0)) PyErr_Print(); PyGILState_Release(gstate); + if (!result) error->all(FLERR,"Fix python/move reset_dt() method failed"); }