165 lines
7.4 KiB
Python
165 lines
7.4 KiB
Python
# This script looks for input scripts under examples/ that have pair/fix/compute styles with KOKKOS support
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# and print out separate sets of input lists into 4 files:
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# input-list-pair-kk.txt
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# input-list-fix-kk.txt
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# input-list-compute-kk.txt
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# input-list-misc-kk.txt
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# These 4 files will be read in by the regression tester run_tests.py
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from argparse import ArgumentParser
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import subprocess
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import sys
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if __name__ == "__main__":
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parser = ArgumentParser()
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parser.add_argument("--examples-top-level", dest="example_toplevel", default="", help="Examples top-level")
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args = parser.parse_args()
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example_toplevel = args.example_toplevel
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with open("input-list-pair-kk.txt", "w") as f:
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# find all the pair styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep -v npair | grep pair | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "pair_[name]_kokkos.cpp" into "[name]"
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style = style.replace("pair_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'pair_style.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains pair {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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with open("input-list-fix-kk.txt", "w") as f:
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# find all the fix styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep fix | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "fix_[name]_kokkos.cpp" into "[name]"
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style = style.replace("fix_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'fix.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains fix {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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with open("input-list-compute-kk.txt", "w") as f:
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# find all the compute styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep compute | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "compute_[name]_kokkos.cpp" into "[name]"
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style = style.replace("compute_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'compute.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains compute {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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with open("input-list-misc-kk.txt", "w") as f:
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# find all the angle styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep angle | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "compute_[name]_kokkos.cpp" into "[name]"
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style = style.replace("angle_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'angle_style.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains angle {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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# find all the bond styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep bond | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "compute_[name]_kokkos.cpp" into "[name]"
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style = style.replace("bond_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'bond_style.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains bond {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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# find all the min styles with the kokkos suffix
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cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep min | grep .cpp"
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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kokkos_styles = p.stdout.split('\n')
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style_names = []
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for style in kokkos_styles:
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if style != "":
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# replace "compute_[name]_kokkos.cpp" into "[name]"
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style = style.replace("min_","")
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style = style.replace("_kokkos.cpp","")
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style = style.replace("_","/")
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style_names.append(style)
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for style in style_names:
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cmd_str = f"grep -rl 'min_style.*{style}' {example_toplevel}/*/in.* "
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p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
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input_list = p.stdout.split('\n')
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input_list = ' '.join(input_list).split()
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#print(f"There are {len(input_list)} input files that contains min {style}")
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for input in input_list:
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if input != "":
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f.write(f"{input}\n")
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