#!/usr/bin/env python3
import glob
import json
import os
import sys
sys.path.append(os.path.join(os.path.dirname(os.path.realpath(__file__)), ".."))
from dpgen.tools.relabel import get_lmp_info
[docs]
def ascii_hist(count):
np = (count - 1) // 5 + 1
ret = " |"
for ii in range(np):
ret += "="
return ret
[docs]
def stat_sys(target_folder, param_file="param.json", verbose=True, mute=False):
target_folder = os.path.abspath(target_folder)
with open(os.path.join(target_folder, param_file)) as fp:
jdata = json.load(fp)
# goto input
cwd = os.getcwd()
os.chdir(target_folder)
sys = jdata["sys_configs"]
numb_sys = len(sys)
sys_tasks_count = [0 for ii in sys]
sys_tasks_trait = [[] for ii in sys]
sys_tasks_trait_count = [[] for ii in sys]
# collect tasks from iter dirs
iters = glob.glob("iter.[0-9]*[0-9]")
iters.sort()
# iters = iters[:2]
for ii in iters:
iter_tasks = glob.glob(
os.path.join(ii, "02.fp", "task.[0-9]*[0-9].[0-9]*[0-9]")
)
iter_tasks.sort()
if verbose:
print("# check iter " + ii + " with %6d tasks" % len(iter_tasks))
for jj in iter_tasks:
sys_idx = int(os.path.basename(jj).split(".")[-2])
sys_tasks_count[sys_idx] += 1
linked_file = os.path.realpath(os.path.join(jj, "conf.dump"))
linked_keys = linked_file.split("/")
task_record = (
linked_keys[-5]
+ "."
+ linked_keys[-3]
+ "."
+ linked_keys[-1].split(".")[0]
)
task_record_keys = task_record.split(".")
ens, temp, pres = get_lmp_info(
os.path.join(ii, "01.model_devi", linked_keys[-3], "input.lammps")
)
trait = [ens, temp, pres]
if trait not in sys_tasks_trait[sys_idx]:
sys_tasks_trait[sys_idx].append(trait)
sys_tasks_trait_count[sys_idx].append(0)
t_idx = sys_tasks_trait[sys_idx].index(trait)
sys_tasks_trait_count[sys_idx][t_idx] += 1
sys_tasks_all = []
for ii in range(numb_sys):
# print(sys[ii], sys_tasks_count[ii])
tmp_all = []
for jj in range(len(sys_tasks_trait[ii])):
tmp_all.append(sys_tasks_trait[ii][jj] + [sys_tasks_trait_count[ii][jj]])
sys_tasks_all.append(tmp_all)
for ii in sys_tasks_all:
ii.sort()
max_str_len = max([len(str(ii)) for ii in sys])
sys_fmt = "%%%ds %%6d" % (max_str_len + 1)
blank = max_str_len - 50
str_blk = ""
for ii in range(blank):
str_blk += " "
trait_fmt = str_blk + "ens: %s T: %10.2f P: %12.2f count: %6d"
for ii in range(numb_sys):
if not mute:
print(sys_fmt % (str(sys[ii]), sys_tasks_count[ii]))
for jj in range(len(sys_tasks_all[ii])):
hist_str = ascii_hist(sys_tasks_all[ii][jj][3])
if not mute:
print(
(trait_fmt + hist_str)
% (
sys_tasks_all[ii][jj][0],
sys_tasks_all[ii][jj][1],
sys_tasks_all[ii][jj][2],
sys_tasks_all[ii][jj][3],
)
)
os.chdir(cwd)
return sys, sys_tasks_count, sys_tasks_all
[docs]
def run_report(args):
stat_sys(args.JOB_DIR, args.param, args.verbose)