From 8d250988722b344b2bd187d63ed0dac2c593688f Mon Sep 17 00:00:00 2001
From: brockdyer03 <brockdyer03@gmail.com>
Date: Tue, 3 Mar 2026 11:21:30 -0500
Subject: [PATCH 1/2] Nexus: Add check for failure to properly call `qmcpack`
 executable by checking for `'QMCPACK'` in output

---
 nexus/nexus/qmcpack.py                       | 6 ++++--
 nexus/nexus/qmcpack_analyzer.py              | 6 +++++-
 nexus/nexus/tests/test_qmcpack_simulation.py | 5 ++++-
 3 files changed, 13 insertions(+), 4 deletions(-)

diff --git a/nexus/nexus/qmcpack.py b/nexus/nexus/qmcpack.py
index 78057a8697..878498842a 100644
--- a/nexus/nexus/qmcpack.py
+++ b/nexus/nexus/qmcpack.py
@@ -1151,10 +1151,10 @@ def check_sim_status(self):
         errors = self.errfile_text()
 
         ran_to_end  = 'Total Execution' in output
+        run_started = 'QMCPACK' in output
         aborted     = 'Fatal Error' in errors
         files_exist = True
         cusp_run    = False
-
         if not self.has_generic_input():
             if not isinstance(self.input,TracedQmcpackInput):
                 cusp_run = self.input.cusp_correction()
@@ -1186,9 +1186,11 @@ def check_sim_status(self):
             #end if
         #end if
 
+        if not run_started:
+            self.warn("QMCPACK did not start properly!\n")
 
         self.succeeded = ran_to_end
-        self.failed    = aborted
+        self.failed    = aborted or not run_started
         self.finished  = files_exist and (self.job.finished or ran_to_end) and not aborted 
 
         if cusp_run and files_exist:
diff --git a/nexus/nexus/qmcpack_analyzer.py b/nexus/nexus/qmcpack_analyzer.py
index 6d3b8ed456..488a79db70 100644
--- a/nexus/nexus/qmcpack_analyzer.py
+++ b/nexus/nexus/qmcpack_analyzer.py
@@ -220,8 +220,12 @@ def __init__(self,arg0=None,**kwargs):
             ghost_atoms(*ghosts)
         #end if
 
-        if isinstance(arg0,Simulation):
+        if isinstance(arg0, Simulation):
             sim = arg0
+            if sim.failed:
+                self.warn("Simulation failed, skipping analysis!")
+                self.info.analyzed = sim.failed
+
             if 'analysis_request' in sim:
                 request = sim.analysis_request.copy()
             else:
diff --git a/nexus/nexus/tests/test_qmcpack_simulation.py b/nexus/nexus/tests/test_qmcpack_simulation.py
index 40d2bcfe8d..72cf364c84 100644
--- a/nexus/nexus/tests/test_qmcpack_simulation.py
+++ b/nexus/nexus/tests/test_qmcpack_simulation.py
@@ -401,7 +401,10 @@ def test_check_sim_status():
     assert(not sim.failed)
 
     outfile = os.path.join(tpath,sim.outfile)
-    out_text = 'Total Execution'
+    out_text = (
+        'QMCPACK\n'
+        'Total Execution'
+    )
     out = open(outfile,'w')
     out.write(out_text)
     out.close()

From d91ec52a36eaf469f57afc8e53032d6328947701 Mon Sep 17 00:00:00 2001
From: brockdyer03 <brockdyer03@gmail.com>
Date: Wed, 4 Mar 2026 08:16:36 -0500
Subject: [PATCH 2/2] Nexus: Add extra check for `self.info.analyzed` in
 addition to `self.analyzed` for `QmcpackAnalyzer`

---
 nexus/nexus/simulation.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/nexus/nexus/simulation.py b/nexus/nexus/simulation.py
index e23a43d898..803c370e03 100644
--- a/nexus/nexus/simulation.py
+++ b/nexus/nexus/simulation.py
@@ -1262,7 +1262,13 @@ def progress(self,dependency_id=None):
                     if not self.got_output and 'get_output' in nexus_core.stages:
                         self.get_output()
                     #end if
+
+                    analyzed = self.analyzed
+                    if hasattr(self, "info"): # QmcpackAnalyzer uses QAInformation
+                        analyzed |= self.info.analyzed
+
                     if not self.analyzed and 'analyze' in nexus_core.stages:
+
                         self.analyze()
                     #end if
                 #end if