Merge branch 'dev' into dev

Argonne-National-Laboratory · Aug 18, 2023 · 219c585 · 219c585
2 parents 178263c + 1f0ae09
commit 219c585
Show file tree

Hide file tree

Showing 10 changed files with 32 additions and 13 deletions.
diff --git a/.github/workflows/package.yml b/.github/workflows/package.yml
@@ -5,7 +5,7 @@ on:
 jobs:
       build_wheels_linux_mac:
             env:
-                  CIBW_SKIP: cp311-* *-manylinux_i686 pp* *_ppc641e *_s390x *_aarch64 *musllinux* 
+                  CIBW_SKIP: cp311-* cp312-* cp313-* *-manylinux_i686 pp* *_ppc641e *_s390x *_aarch64 *musllinux* 
                   CIBW_BEFORE_ALL_LINUX: yum -y install cmake cmake3 blas-devel lapack-devel && alternatives --install /usr/local/bin/cmake cmake /usr/bin/cmake 10 --slave /usr/local/bin/ctest ctest /usr/bin/ctest --slave /usr/local/bin/cpack cpack /usr/bin/cpack --slave /usr/local/bin/ccmake ccmake /usr/bin/ccmake --family cmake && alternatives --install /usr/local/bin/cmake cmake /usr/bin/cmake3 20 --slave /usr/local/bin/ctest ctest /usr/bin/ctest3 --slave /usr/local/bin/cpack cpack /usr/bin/cpack3 --slave /usr/local/bin/ccmake ccmake /usr/bin/ccmake3 --family cmake
                   CIBW_BEFORE_ALL_MACOS: brew install cmake openblas superlu gfortran
                   CIBW_BEFORE_BUILD: "cmake -DCMAKE_BUILD_TYPE=Release -DUSE_OPENMP=OFF . && cmake --build . && rm CMakeCache.txt && rm -rf CMakeFiles && pip install -r requirements.txt"

diff --git a/.github/workflows/test_packages.yml b/.github/workflows/test_packages.yml
@@ -3,7 +3,7 @@ on: pull_request
 jobs:
       test_wheels_linux_mac:
             env:
-                  CIBW_SKIP: cp311-* *-manylinux_i686 pp* *_ppc641e *_s390x *_aarch64 *musllinux* 
+                  CIBW_SKIP: cp311-* cp312-* cp313-* *-manylinux_i686 pp* *_ppc641e *_s390x *_aarch64 *musllinux* 
                   CIBW_BEFORE_ALL_LINUX: yum -y install cmake cmake3 blas-devel lapack-devel && alternatives --install /usr/local/bin/cmake cmake /usr/bin/cmake 10 --slave /usr/local/bin/ctest ctest /usr/bin/ctest --slave /usr/local/bin/cpack cpack /usr/bin/cpack --slave /usr/local/bin/ccmake ccmake /usr/bin/ccmake --family cmake && alternatives --install /usr/local/bin/cmake cmake /usr/bin/cmake3 20 --slave /usr/local/bin/ctest ctest /usr/bin/ctest3 --slave /usr/local/bin/cpack cpack /usr/bin/cpack3 --slave /usr/local/bin/ccmake ccmake /usr/bin/ccmake3 --family cmake
                   CIBW_BEFORE_ALL_MACOS: brew install cmake openblas superlu gfortran
                   CIBW_BEFORE_BUILD: "cmake -DCMAKE_BUILD_TYPE=Release -DUSE_OPENMP=OFF . && cmake --build . && rm CMakeCache.txt && rm -rf CMakeFiles && pip install -r requirements.txt"

diff --git a/include/nemlerror.h b/include/nemlerror.h
@@ -30,6 +30,8 @@ class NEML_EXPORT NonlinearSolverError: public NEMLError {
   NonlinearSolverError(std::string msg);
 };
 
+enum class ExceptionType { NEMLError, LinalgError, NonlinearSolverError };
+
 } // namespace neml
 
 #endif // NEMLERROR
diff --git a/neml/__init__.py b/neml/__init__.py
@@ -3,4 +3,7 @@
 ndir = os.path.dirname(__file__)
 os.environ['PATH'] += os.pathsep + ndir
 
+if os.name == 'nt':
+    os.add_dll_directory(ndir)
+
 import neml.history
diff --git a/pybind11 b/pybind11
diff --git a/src/cp/batch.cxx b/src/cp/batch.cxx
@@ -1,5 +1,7 @@
 #include "cp/batch.h"
 
+#include <cstdio>
+
 #ifdef USE_OMP
 #include <omp.h>
 #endif
@@ -24,16 +26,24 @@ void evaluate_crystal_batch(SingleCrystalModel & model, size_t n,
   omp_set_num_threads(nthreads);
   #endif
 
+  size_t error_count = 0;
 #ifdef USE_OMP
-#pragma omp parallel for
+#pragma omp parallel for reduction(+: error_count)
 #endif
   for (size_t i=0; i<n; i++) {
-    model.update_ld_inc(&d_np1[i*6], &d_n[i*6], &w_np1[i*3], &w_n[i*3],
-                                 T_np1[i], T_n[i], t_np1, t_n, &s_np1[i*6],
-                                 &s_n[i*6], &h_np1[i*nh], &h_n[i*nh],
-                                 &A_np1[i*36], &B_np1[i*18], 
-                                 u_np1[i], u_n[i], p_np1[i], p_n[i]);
+    try {
+      model.update_ld_inc(&d_np1[i*6], &d_n[i*6], &w_np1[i*3], &w_n[i*3],
+                                   T_np1[i], T_n[i], t_np1, t_n, &s_np1[i*6],
+                                   &s_n[i*6], &h_np1[i*nh], &h_n[i*nh],
+                                   &A_np1[i*36], &B_np1[i*18], 
+                                   u_np1[i], u_n[i], p_np1[i], p_n[i]);
+    }
+    catch (NEMLError & e) {
+      ++error_count;
+    }
   }
+  if (error_count > 0)
+    throw NEMLError("Errors occurred in a parallel OpenMP region");
 }
 
 void init_history_batch(SingleCrystalModel & model, size_t n, double * const hist)

diff --git a/src/nemlerror.cxx b/src/nemlerror.cxx
@@ -27,5 +27,4 @@ NonlinearSolverError::NonlinearSolverError(std::string msg) :
 
 }
 
-
 } // namespace neml
diff --git a/src/nemlerror_wrap.cxx b/src/nemlerror_wrap.cxx
@@ -14,6 +14,11 @@ PYBIND11_MODULE(nemlerror, m) {
   py::register_exception<NEMLError>(m, "NEMLError");
   py::register_exception<LinalgError>(m, "LinalgError");
   py::register_exception<NonlinearSolverError>(m, "NonlinearSolverError");
+
+  py::enum_<ExceptionType>(m, "ExceptionType")
+      .value("NEMLError", ExceptionType::NEMLError)
+      .value("LinalgError", ExceptionType::LinalgError)
+      .value("NonlinearSolverError", ExceptionType::NonlinearSolverError);
 }
 
 } // namespace neml
diff --git a/test/test_nemlmath.py b/test/test_nemlmath.py
@@ -282,10 +282,10 @@ def test_invert(self):
     self.assertTrue(np.allclose(inv_ns, inv))
 
   def test_nonsquare(self):
-    self.assertRaises(RuntimeError, invert_mat, self.nonsquare)
+    self.assertRaises(Exception, invert_mat, self.nonsquare)
 
   def test_nonmatrix(self):
-    self.assertRaises(RuntimeError, invert_mat, self.big)
+    self.assertRaises(Exception, invert_mat, self.big)
 
 class TestSolve(unittest.TestCase):
   def setUp(self):

diff --git a/test/test_parse.py b/test/test_parse.py
@@ -7,7 +7,7 @@
 
 class TestErrors(unittest.TestCase):
   def test_badobject(self):
-    with self.assertRaises(RuntimeError):
+    with self.assertRaises(Exception):
       test = parse.parse_xml(localize("examples.xml"), "test_badobject")
 
   def test_nomodel(self):
Original file line number	Diff line number	Diff line change
Expand Up		@@ -27,5 +27,4 @@ NonlinearSolverError::NonlinearSolverError(std::string msg) :

		}


		} // namespace neml