--- branches/development/validation/comp_md.py 2011/11/03 14:45:41 1660 +++ branches/development/validation/comp_md.py 2011/11/07 13:05:14 1661 @@ -30,11 +30,16 @@ def setupDirectories(): os.chdir("../build/bin/") dir_openmd = os.getcwd() os.chdir(dir_base) + elif(os.path.isfile("../bin/openmd")): + os.chdir("../bin/") + dir_openmd = os.getcwd() + os.chdir(dir_base) else: logger.error("OpenMD : %s", "openmd executable not found at the expected location. Script Will Quit...") sys.exit() + forcefld_path = os.path.abspath("../forceFields") + os.environ["FORCE_PARAM_PATH"] = forcefld_path - """ Function checks if the sample_file and validate_file (.md files) have the same statusTime = interval time for the stats file.