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Copy pathbuild files and calculated RMSEs
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51 lines (51 loc) · 3.12 KB
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Copy pathbuild files and calculated RMSEs
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51 lines (51 loc) · 3.12 KB
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import shutil,os,time
from pathlib import Path
print (Path.cwd())
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test')
for i_1 in range (13,17):
os.makedirs(f"iter{i_1}")
print(f"iter{i_1} has been created")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test' +"/"+ f"iter{i_1}")
os.makedirs("init")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test' +"/"+ f"iter{i_1}" +"/"+ "init")
for n_1 in range (1,5):
os.makedirs(f"m{n_1}")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test' +"/"+ f"iter{i_1}")
for i_2 in range(1,i_1+1):
os.makedirs(f"fp{i_2}")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test' +"/"+ f"iter{i_1}" +"/"+f"fp{i_2}")
for n in range (1,5):
os.makedirs(f"m{n}")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test' +"/"+ f"iter{i_1}")
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O/test')
p0=Path("/media/ftx/dpgen/1MgKNaCl-5H2O")
p0_list=os.listdir('/media/ftx/dpgen/1MgKNaCl-5H2O')
print(p0_list)
for index_1,item_1 in enumerate(p0_list[24:29]):
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O'+ "/" + f"iter.0000{index_1+13}" + "/" + "00.train")
p1=Path.cwd()
p1_list=os.listdir(p1)
print(p1_list)
for index_2, item_2 in enumerate(p1_list[2:6]):
os.chdir('/media/ftx/dpgen/1MgKNaCl-5H2O'+ "/" + f"iter.0000{index_1+13}" + "/" + "00.train" + "/" + f"{item_2}")
os.system("nohup /root/deepmd-kit/bin/dp test -s ../data.init/data -n 100 -d results &")
time.sleep(20)
shutil.move("nohup.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/init/m{index_2+1}/nohup.out")
shutil.move("results.e.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/init/m{index_2+1}/results.e.out")
shutil.move("results.f.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/init/m{index_2+1}/results.f.out")
shutil.move("results.v.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/init/m{index_2+1}/results.v.out")
for i_3 in range (10):
os.system(f"nohup /root/deepmd-kit/bin/dp test -s ../data.iters/iter.00000{i_3}/02.fp/data.000 -n 100 -d results&")
time.sleep(20)
shutil.move("nohup.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_3+1}/m{index_2+1}/nohup.out")
shutil.move("results.e.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_3+1}/m{index_2+1}/results.e.out")
shutil.move("results.f.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_3+1}/m{index_2+1}/results.f.out")
shutil.move("results.v.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_3+1}/m{index_2+1}/results.v.out")
for i_4 in range (index_1+3):
os.system(f"nohup /root/deepmd-kit/bin/dp test -s ../data.iters/iter.00001{i_4}/02.fp/data.000 -n 100 -d results &")
time.sleep(20)
shutil.move("nohup.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_4+11}/m{index_2+1}/nohup.out")
shutil.move("results.e.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_4+11}/m{index_2+1}/results.e.out")
shutil.move("results.f.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_4+11}/m{index_2+1}/results.f.out")
shutil.move("results.v.out",f"/media/ftx/dpgen/1MgKNaCl-5H2O/test/iter{index_1+13}/fp{i_4+11}/m{index_2+1}/results.v.out")
print("finished")