Added a python script to get the example inputs that contain KOKKOS styles and generate the input lists for regression tests

2024-10-11 14:18:43 -05:00
parent 63a26b1770
commit 8f76fcdc54
3 changed files with 192 additions and 18 deletions
--- a/tools/regression-tests/get_kokkos_input.py
+++ b/tools/regression-tests/get_kokkos_input.py
@ -0,0 +1,164 @@
+# This script looks for input scripts under examples/ that have pair/fix/compute styles with KOKKOS support
+# and print out separate sets of input lists into 4 files:
+#   input-list-pair-kk.txt
+#   input-list-fix-kk.txt
+#   input-list-compute-kk.txt
+#   input-list-misc-kk.txt
+# These 4 files will be read in by the regression tester run_tests.py
+
+from argparse import ArgumentParser
+import subprocess
+import sys
+
+if __name__ == "__main__":
+    parser = ArgumentParser()
+    parser.add_argument("--examples-top-level", dest="example_toplevel", default="", help="Examples top-level")
+
+    args = parser.parse_args()
+    example_toplevel = args.example_toplevel
+
+    with open("input-list-pair-kk.txt", "w") as f:
+        # find all the pair styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep -v npair | grep pair | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "pair_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("pair_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'pair_style.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains pair {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")
+
+    with open("input-list-fix-kk.txt", "w") as f:
+
+        # find all the fix styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep fix | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "fix_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("fix_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'fix.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains fix {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")
+
+    with open("input-list-compute-kk.txt", "w") as f:
+        # find all the compute styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep compute | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "compute_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("compute_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'compute.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains compute {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")
+
+
+    with open("input-list-misc-kk.txt", "w") as f:
+        
+        # find all the angle styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep angle | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "compute_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("angle_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'angle_style.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains angle {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")
+
+
+        # find all the bond styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep bond | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "compute_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("bond_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'bond_style.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains bond {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")
+
+        # find all the min styles with the kokkos suffix 
+        cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep min | grep .cpp"
+        p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+        kokkos_styles = p.stdout.split('\n')
+        style_names = []
+        for style in kokkos_styles:
+            if style != "":
+                # replace "compute_[name]_kokkos.cpp" into "[name]"
+                style = style.replace("min_","")
+                style = style.replace("_kokkos.cpp","")
+                style = style.replace("_","/")
+                style_names.append(style)
+
+        for style in style_names:
+            cmd_str = f"grep -rl 'min_style.*{style}' {example_toplevel}/*/in.* "
+            p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
+            input_list = p.stdout.split('\n')
+            input_list = ' '.join(input_list).split()
+            #print(f"There are {len(input_list)} input files that contains min {style}")
+            for input in input_list:
+                if input != "":
+                    f.write(f"{input}\n")