Unverified Commit e1c4e1f8 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Fixed exceptions in benchmark script (#3912)

parent 4c2f3323
...@@ -4,10 +4,11 @@ import openmm as mm ...@@ -4,10 +4,11 @@ import openmm as mm
import openmm.unit as unit import openmm.unit as unit
from datetime import datetime from datetime import datetime
import argparse import argparse
import os
def cpuinfo(): def cpuinfo():
"""Return CPU info""" """Return CPU info"""
import os, platform, subprocess, re import platform, subprocess, re
if platform.system() == "Windows": if platform.system() == "Windows":
return platform.processor() return platform.processor()
elif platform.system() == "Darwin": elif platform.system() == "Darwin":
...@@ -41,7 +42,6 @@ def appendTestResult(filename=None, test_result=None, system_info=None): ...@@ -41,7 +42,6 @@ def appendTestResult(filename=None, test_result=None, system_info=None):
if filename is None: if filename is None:
return return
import os
all_results = { 'benchmarks' : list() } all_results = { 'benchmarks' : list() }
if system_info is not None: if system_info is not None:
all_results['system'] = system_info all_results['system'] = system_info
...@@ -266,7 +266,6 @@ def serializeTest(directory=None, system=None, integrator=None, state=None, core ...@@ -266,7 +266,6 @@ def serializeTest(directory=None, system=None, integrator=None, state=None, core
metadata : dict metadata : dict
Metadata to dump to YAML Metadata to dump to YAML
""" """
import os
os.makedirs(directory, exist_ok=True) os.makedirs(directory, exist_ok=True)
import openmm import openmm
def serialize(obj, filename): def serialize(obj, filename):
...@@ -512,7 +511,6 @@ for key, value in system_info.items(): ...@@ -512,7 +511,6 @@ for key, value in system_info.items():
if args.outfile is not None: if args.outfile is not None:
# Remove output file # Remove output file
import os
if os.path.exists(args.outfile): if os.path.exists(args.outfile):
os.unlink(args.outfile) os.unlink(args.outfile)
# Write system info # Write system info
...@@ -561,4 +559,4 @@ elif args.style == 'table': ...@@ -561,4 +559,4 @@ elif args.style == 'table':
print(e) print(e)
pass pass
else: else:
raise ValueError(f"style {args.style} unkown; must be one of ['simple', 'table']") raise ValueError(f"style {args.style} unknown; must be one of ['simple', 'table']")
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