CI fixes for nwchem

test/smoke-fails/clang-nwchem-s1_1/Makefile

@@ -16,5 +16,5 @@ include ../Makefile.rules
 run: $(TESTNAME)
 	ulimit -s unlimited ;\
 	$(RUNENV) ./$(TESTNAME) > run.log 2>&1 ; \
-	grep target_team_region run.log | awk '{print $$2, $$3}' 
+	grep launch_kernel run.log | awk '{print $$2, $$3}'
 

test/smoke-fort-dev/nwchem-s1_1/printTime.py

@@ -1,117 +1,50 @@
 #!/usr/bin/env python3
 # Copyright © Advanced Micro Devices, Inc., or its affiliates.
-
 # SPDX-License-Identifier:  MIT
 
-# flang-494405.py
-# LLM: GPT-4
-# Date: 2025-08-20
-"""
-Write a Python program specified by the following.  If an error, return a negative error code.
-
-In a comment in the program, specify the LLM/version and the current date. Include this query into the program as documentation.
-
-In the directory where this program was executed, there is a directory with the current machine's name.
-In that directory, there is a file called: "*_kernel_stats.csv", for example: "1428133_kernel_stats.csv".  Read that file.
-This CSV file has the following format (for example):
-
-"Name","Calls","TotalDurationNs","AverageNs","Percentage"
-"__omp_offloading_10302_2d86ff6_tgt_sd_t_s1_1__l23.kd",1,888032,888032,100.0
-
-Print out the information collected in the following format. What follows is an example:
-
-"Name"                                             "Calls"  "TotalDurationNs"  "AverageNs"  "Percentage"
-"__omp_offloading_10302_2d8735b_glsc3_acc__l5.kd"  1        447886             447886       100.0
-
-Delete the directory with the current machine's name.
-"""
-
-import os
-import sys
-import socket
-import glob
 import csv
+import glob
+import os
 import shutil
+import socket
+import sys
 
-def print_row(name, calls, total_ns, average_ns, percentage):
-    # Format to match requested output: columns aligned similar to example
-    print(f'{name:<50} {calls:<8} {total_ns:<18} {average_ns:<12} {percentage}')
-
-def main():
-    try:
-        hostname = socket.gethostname()
-        hostname_dir = os.path.join(os.getcwd(), hostname)
 
-        if not os.path.isdir(hostname_dir):
-            print(f"Error: directory '{hostname}' not found in current directory.", file=sys.stderr)
-            return -1
+FIELDS = ("Name", "Calls", "TotalDurationNs", "AverageNs", "Percentage")
 
-        pattern = os.path.join(hostname_dir, "*_kernel_stats.csv")
-        files = glob.glob(pattern)
-        if not files:
-            print(f"Error: no file matching '*_kernel_stats.csv' in '{hostname}'.", file=sys.stderr)
-            return -2
 
-        csv_file = files[0]
+def print_row(row):
+    print(f'{"Name":<50} {"Calls":<8} {"TotalDurationNs":<18} {"AverageNs":<12} {"Percentage"}')
+    print(
+        f'{row["Name"]:<50} {row["Calls"]:<8} '
+        f'{row["TotalDurationNs"]:<18} {row["AverageNs"]:<12} {row["Percentage"]}'
+    )
 
-        # Read CSV and print rows
-        with open(csv_file, newline='') as f:
-            # The CSV may have quoted header; use csv.DictReader to be robust
-            reader = csv.DictReader(f)
-            # Print header line as requested
-            print(f'{"Name":<50} {"Calls":<8} {"TotalDurationNs":<18} {"AverageNs":<12} {"Percentage"}')
 
-            # Validate required columns present
-            required = ("Name", "Calls", "TotalDurationNs", "AverageNs", "Percentage")
-            for col in required:
-                if col not in reader.fieldnames:
-                    print(f"Error: expected column '{col}' not found in CSV.", file=sys.stderr)
-                    return -3
+def main():
+    hostname_dir = os.path.join(os.getcwd(), socket.gethostname())
+    csv_files = glob.glob(os.path.join(hostname_dir, "*_kernel_stats.csv"))
+    if not csv_files:
+        print(f"Error: no *_kernel_stats.csv found in {hostname_dir}", file=sys.stderr)
+        return 1
 
-            for row in reader:
-                raw_name = row.get("Name", "").strip()
-                if not raw_name:
-                    # skip empty names
-                    continue
-                # Ensure .kd suffix as in example
-                name = raw_name if raw_name.endswith(".kd") else raw_name + ".kd"
-                calls = row.get("Calls", "").strip()
-                total_ns = row.get("TotalDurationNs", "").strip()
-                # AverageNs may be float-like; format as integer when appropriate
-                avg_raw = row.get("AverageNs", "").strip()
-                try:
-                    avg_val = int(float(avg_raw)) if avg_raw != "" else ""
-                except ValueError:
-                    avg_val = avg_raw
-                perc_raw = row.get("Percentage", "").strip()
-                try:
-                    perc_val = float(perc_raw) if perc_raw != "" else ""
-                except ValueError:
-                    perc_val = perc_raw
+    with open(csv_files[0], newline="") as csv_file:
+        reader = csv.DictReader(csv_file)
+        if not reader.fieldnames or any(field not in reader.fieldnames for field in FIELDS):
+            print("Error: missing expected kernel stats columns", file=sys.stderr)
+            return 1
 
-                print_row(name, calls, total_ns, avg_val, perc_val)
+        rows = [row for row in reader if row.get("Name")]
+        if not rows:
+            print("Error: no kernel rows found", file=sys.stderr)
+            return 1
 
-        # Delete the hostname directory (recursively)
-        try:
-            shutil.rmtree(hostname_dir)
-        except PermissionError:
-            print(f"Error: permission denied when deleting directory '{hostname_dir}'.", file=sys.stderr)
-            return -4
-        except OSError as e:
-            print(f"Error: failed to delete directory '{hostname_dir}': {e}", file=sys.stderr)
-            return -5
+    slowest = max(rows, key=lambda row: float(row["TotalDurationNs"]))
+    print_row(slowest)
 
-        return 0
+    shutil.rmtree(hostname_dir)
+    return 0
 
-    except FileNotFoundError as e:
-        print(f"Error: file not found: {e}", file=sys.stderr)
-        return -6
-    except PermissionError as e:
-        print(f"Error: permission error: {e}", file=sys.stderr)
-        return -7
-    except Exception as e:
-        print(f"Error: unexpected error: {e}", file=sys.stderr)
-        return -8
 
 if __name__ == "__main__":
     sys.exit(main())