From 4f7f1f2d1e9d380678d30a0690643c2771184285 Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Sat, 26 Jan 2019 14:43:08 -0800
Subject: [PATCH] PuReMD-old: update tools/run_sim.py for non-unit logging
freqeuncy.
---
tools/run_sim.py | 26 ++++++++++++++++++--------
1 file changed, 18 insertions(+), 8 deletions(-)
diff --git a/tools/run_sim.py b/tools/run_sim.py
index 72c477c9..96f0eb34 100644
--- a/tools/run_sim.py
+++ b/tools/run_sim.py
@@ -352,8 +352,9 @@ restart_freq 0 ! 0: do not output any restart f
if path.exists(temp_dir):
rmdir(temp_dir)
- def _process_result(self, fout, param, min_step, max_step, run_type):
+ def _process_result(self, fout, param, min_step, max_step, freq_step, run_type):
if run_type == 'serial' or run_type == 'openmp':
+ step_0_cnt = 0
time = 0.
cm = 0.
iters = 0.
@@ -382,6 +383,9 @@ restart_freq 0 ! 0: do not output any restart f
pre_app = pre_app + float(line[10])
spmv = spmv + float(line[11])
cnt = cnt + 1
+
+ if line[0] == '0':
+ step_0_cnt = step_0_cnt + 1
cnt_valid = cnt_valid + 1
except Exception:
pass
@@ -400,7 +404,7 @@ restart_freq 0 ! 0: do not output any restart f
# subtract for header, footer (total time), and extra step
# (e.g., 100 steps means steps 0 through 100, inclusive)
- if (line_cnt - 3) == int(param['nsteps']):
+ if (line_cnt - 2 - step_0_cnt) == (int(param['nsteps']) / freq_step):
fout.write(self.__result_body_fmt.format(path.basename(self.__geo_file).split('.')[0],
param['nsteps'], param['charge_method'], param['cm_solver_type'],
param['cm_solver_q_err'], param['cm_domain_sparsity'],
@@ -410,13 +414,14 @@ restart_freq 0 ! 0: do not output any restart f
pre_comp, pre_app, iters, spmv,
cm, param['threads'], time))
else:
- print('[WARNING] nsteps not correct in file {0} (nsteps = {1:d}, counted steps = {2:d}).'.format(
- log_file, int(param['nsteps']), max(line_cnt - 3, 0)))
+ print('[WARNING] nsteps not correct in file {0} (nsteps = {1:d}, step freq = {2:d}, counted steps = {3:d}).'.format(
+ log_file, int(param['nsteps']), freq_step, max(line_cnt - 3, 0)))
fout.flush()
elif run_type == 'mpi':
from operator import mul
from functools import reduce
+ step_0_cnt = 0
total = 0.0
comm = 0.0
neighbors = 0.0
@@ -471,6 +476,9 @@ restart_freq 0 ! 0: do not output any restart f
s_spmv = s_spmv + float(line[17])
s_vec_ops = s_vec_ops + float(line[18])
cnt = cnt + 1
+
+ if line[0] == '0':
+ step_0_cnt = step_0_cnt + 1
cnt_valid = cnt_valid + 1
except Exception:
pass
@@ -501,7 +509,7 @@ restart_freq 0 ! 0: do not output any restart f
# subtract for header, footer (total time), and extra step
# (e.g., 100 steps means steps 0 through 100, inclusive)
- if (line_cnt - 1) >= int(param['nsteps']):
+ if (line_cnt - 2 - step_0_cnt) == (int(param['nsteps']) / freq_step):
fout.write(self.__result_body_fmt.format(path.basename(self.__geo_file).split('.')[0],
str(reduce(mul, map(int, param['proc_by_dim'].split(':')), 1)),
param['nsteps'], param['cm_solver_pre_comp_type'],
@@ -524,8 +532,8 @@ restart_freq 0 ! 0: do not output any restart f
float('nan'), float('nan'), float('nan'), float('nan'),
float('nan'), float('nan')))
- print('[WARNING] nsteps not correct in file {0} (nsteps = {1:d}, counted steps = {2:d}).'.format(
- log_file, int(param['nsteps']), max(line_cnt - 3, 0)))
+ print('[WARNING] nsteps not correct in file {0} (nsteps = {1:d}, step freq = {2:d}, counted steps = {3:d}).'.format(
+ log_file, int(param['nsteps']), freq_step, max(line_cnt - 3, 0)))
fout.flush()
elif run_type == 'mpi+gpu':
#TODO
@@ -549,7 +557,9 @@ restart_freq 0 ! 0: do not output any restart f
param_dict = dict((k, v) for (k, v) in zip(self.__param_names, p))
param_dict['name'] = self._create_output_file_base(run_type, param_dict)
- self._process_result(fout, param_dict, self.__min_step, self.__max_step, run_type)
+ self._process_result(fout, param_dict,
+ self.__min_step, self.__max_step,
+ int(param_dict['energy_update_freq']), run_type)
def _build_slurm_script(self, binary, run_type, mpi_cmd, param_values):
from os import path
--
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