From 76d876f861652a5cd2be50dd50c634788d7a5f0e Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Thu, 15 Sep 2016 22:11:58 -0400
Subject: [PATCH] Allow detection of MPI_Abort condition in library call
The return value of `lammps_get_last_error_message` now encodes if the last
error was recoverable or should cause an `MPI_Abort`. The driving code is
responsible of reacting to the error and calling `MPI_Abort` on the
communicator it passed to the LAMMPS instance.
---
python/lammps.py | 12 ++++++++++--
src/error.cpp | 18 ++++++++++++++----
src/error.h | 12 ++++++++++--
src/library.cpp | 20 +++++++++++++++++---
4 files changed, 51 insertions(+), 11 deletions(-)
diff --git a/python/lammps.py b/python/lammps.py
index 7926fa5e4a..ef61ed1c96 100644
--- a/python/lammps.py
+++ b/python/lammps.py
@@ -43,6 +43,7 @@ class lammps(object):
# create instance of LAMMPS
def __init__(self,name="",cmdargs=None,ptr=None,comm=None):
+ self.comm = comm
# determine module location
@@ -152,8 +153,15 @@ class lammps(object):
if self.lib.lammps_has_error(self.lmp):
sb = create_string_buffer(100)
- self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
- raise Exception(sb.value.decode().strip())
+ error_type = self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
+ error_msg = sb.value.decode().strip()
+
+ if error_type == 2 and lammps.has_mpi4py_v2 and self.comm != None and self.comm.Get_size() > 1:
+ print(error_msg, file=sys.stderr)
+ print("Aborting...", file=sys.stderr)
+ sys.stderr.flush()
+ self.comm.Abort()
+ raise Exception(error_msg)
def extract_global(self,name,type):
if name: name = name.encode()
diff --git a/src/error.cpp b/src/error.cpp
index 614b62d5f0..237984bfaf 100644
--- a/src/error.cpp
+++ b/src/error.cpp
@@ -22,7 +22,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
-Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL) {}
+Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL), last_error_type(ERROR_NONE) {}
/* ----------------------------------------------------------------------
called by all procs in universe
@@ -208,13 +208,22 @@ char * Error::get_last_error() const
return last_error_message;
}
+/* ----------------------------------------------------------------------
+ return the type of the last error reported by LAMMPS (only used if
+ compiled with -DLAMMPS_EXCEPTIONS)
+------------------------------------------------------------------------- */
+
+ErrorType Error::get_last_error_type() const
+{
+ return last_error_type;
+}
/* ----------------------------------------------------------------------
- set the last error message (only used if compiled with
- -DLAMMPS_EXCEPTIONS)
+ set the last error message and error type
+ (only used if compiled with -DLAMMPS_EXCEPTIONS)
------------------------------------------------------------------------- */
-void Error::set_last_error(const char * msg)
+void Error::set_last_error(const char * msg, ErrorType type)
{
delete [] last_error_message;
@@ -224,4 +233,5 @@ void Error::set_last_error(const char * msg)
} else {
last_error_message = NULL;
}
+ last_error_type = type;
}
diff --git a/src/error.h b/src/error.h
index 0ca9440572..0fa3475d1e 100644
--- a/src/error.h
+++ b/src/error.h
@@ -47,8 +47,15 @@ public:
}
};
+enum ErrorType {
+ ERROR_NONE = 0,
+ ERROR_NORMAL = 1,
+ ERROR_ABORT = 2
+};
+
class Error : protected Pointers {
char * last_error_message;
+ ErrorType last_error_type;
public:
Error(class LAMMPS *);
@@ -63,8 +70,9 @@ class Error : protected Pointers {
void message(const char *, int, const char *, int = 1);
void done(int = 0); // 1 would be fully backwards compatible
- char * get_last_error() const;
- void set_last_error(const char * msg);
+ char * get_last_error() const;
+ ErrorType get_last_error_type() const;
+ void set_last_error(const char * msg, ErrorType type = ERROR_NORMAL);
};
}
diff --git a/src/library.cpp b/src/library.cpp
index 8aa1d9978e..4d493c979b 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -113,8 +113,18 @@ char *lammps_command(void *ptr, char *str)
try {
return lmp->input->one(str);
+ } catch(LAMMPSAbortException & ae) {
+ int nprocs = 0;
+ MPI_Comm_size(ae.universe, &nprocs );
+
+ if (nprocs > 1) {
+ error->set_last_error(ae.message.c_str(), ERROR_ABORT);
+ } else {
+ error->set_last_error(ae.message.c_str(), ERROR_NORMAL);
+ }
+ return NULL;
} catch(LAMMPSException & e) {
- error->set_last_error(e.message.c_str());
+ error->set_last_error(e.message.c_str(), ERROR_NORMAL);
return NULL;
}
}
@@ -613,6 +623,9 @@ int lammps_has_error(void *ptr) {
/* ----------------------------------------------------------------------
Copy the last error message of LAMMPS into a character buffer
+ The return value encodes which type of error it is.
+ 1 = normal error (recoverable)
+ 2 = abort error (non-recoverable)
------------------------------------------------------------------------- */
int lammps_get_last_error_message(void *ptr, char * buffer, int buffer_size) {
@@ -620,9 +633,10 @@ int lammps_get_last_error_message(void *ptr, char * buffer, int buffer_size) {
Error * error = lmp->error;
if(error->get_last_error()) {
+ int error_type = error->get_last_error_type();
strncpy(buffer, error->get_last_error(), buffer_size-1);
- error->set_last_error(NULL);
- return 1;
+ error->set_last_error(NULL, ERROR_NONE);
+ return error_type;
}
return 0;
}
--
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