From 5276c950377e6a626fa9f3e5536d6a7e03d8659a Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Tue, 2 Aug 2016 08:45:35 -0700
Subject: [PATCH] Update tools.
---
tools/run_sim.py | 112 ++++++++++++++++++++++++++---------------------
1 file changed, 62 insertions(+), 50 deletions(-)
diff --git a/tools/run_sim.py b/tools/run_sim.py
index a5915aa5..39342fdb 100644
--- a/tools/run_sim.py
+++ b/tools/run_sim.py
@@ -4,20 +4,22 @@ from fileinput import input
from itertools import product
from re import sub
from subprocess import Popen, PIPE
-from os import getcwd, environ, path, rename
+from os import getcwd, environ, path, remove, rename, rmdir
from sys import exit
+from tempfile import mkdtemp
from time import time
class TestCase():
def __init__(self, geo_file, ffield_file, control_file, params={}, result_header_fmt='',
- result_body_fmt='', result_file='result.txt'):
+ result_header='', result_body_fmt='', result_file='results.txt'):
self.__geo_file = geo_file
self.__ffield_file = ffield_file
self.__control_file = control_file
self.__param_names = sorted(params.keys())
self.__params = params
self.__result_header_fmt = result_header_fmt
+ self.__result_header = result_header
self.__result_body_fmt = result_body_fmt
self.__result_file = result_file
self.__control_res = { \
@@ -45,18 +47,22 @@ class TestCase():
r'(?P<key>geo_format\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \
}
- def _setup(self, param):
- for line in input(self.__control_file, inplace=1):
- line = line.rstrip()
- for k in self.__control_res.keys():
- try:
- line = self.__control_res[k](line, param[k])
- except KeyError:
- pass
- print line
-
- def run(self):
+ def _setup(self, param, temp_file):
+ fp = open(self.__control_file, 'r')
+ lines = fp.read()
+ fp.close()
+ for k in self.__control_res.keys():
+ try:
+ lines = self.__control_res[k](lines, param[k])
+ except KeyError:
+ pass
+ fp_temp = open(temp_file, 'w', 0)
+ fp_temp.write(lines)
+ fp_temp.close()
+
+ def run(self, bin_file='sPuReMD/bin/spuremd'):
base_dir = getcwd()
+ bin_path = path.join(base_dir, bin_file)
env = dict(environ)
write_header = True
@@ -64,8 +70,10 @@ class TestCase():
write_header = False
fout = open(self.__result_file, 'a', 0)
if write_header:
- fout.write(self.__result_header_fmt.format('Data Set', 'Steps', 'Q Tol', 'Pre T', 'Pre Comp',
- 'Pre App', 'Iters', 'SpMV', 'QEq', 'Threads', 'Time (s)'))
+ fout.write(self.__result_header_fmt.format(*self.__result_header))
+
+ temp_dir = mkdtemp()
+ temp_file = path.join(temp_dir, path.basename(self.__control_file))
for p in product(*[self.__params[k] for k in self.__param_names]):
param_dict = dict((k, v) for (k, v) in zip(self.__param_names, p))
@@ -73,24 +81,24 @@ class TestCase():
+ '_step' + param_dict['nsteps'] + '_tol' + param_dict['qeq_solver_q_err'] \
+ '_precomp' + param_dict['pre_comp_type'] + '_thread' + param_dict['threads']
- self._setup(param_dict)
+ self._setup(param_dict, temp_file)
env['OMP_NUM_THREADS'] = param_dict['threads']
start = time()
- proc_handle = Popen([path.join(base_dir, 'sPuReMD/bin/spuremd'),
- self.__geo_file, self.__ffield_file, self.__control_file],
+ proc_handle = Popen([bin_path, self.__geo_file, self.__ffield_file, temp_file],
stdout=PIPE, stderr=PIPE, env=env)
#TODO: handle outputs?
stdout, stderr = proc_handle.communicate()
- print 'stdout:', stdout
- print 'stderr:', stderr
stop = time()
self._process_result(fout, stop - start, param_dict)
fout.close()
+ remove(temp_file)
+ rmdir(temp_dir)
def _process_result(self, fout, time, param):
+ qeq = 0.
iters = 0.
pre_comp = 0.
pre_app = 0.
@@ -100,6 +108,7 @@ class TestCase():
for line in fp:
line = line.split()
try:
+ qeq = qeq + float(line[6])
iters = iters + float(line[7])
pre_comp = pre_comp + float(line[8])
pre_app = pre_app + float(line[9])
@@ -108,14 +117,15 @@ class TestCase():
except Exception:
pass
cnt = cnt - 1
+ qeq = qeq / cnt
iters = iters / cnt
pre_comp = pre_comp / cnt
pre_app = pre_app / cnt
spmv = spmv / cnt
- fout.write(self.__result_body_fmt.format(path.basename(self.__control_file).split('.')[0],
+ fout.write(self.__result_body_fmt.format(path.basename(self.__geo_file).split('.')[0],
param['nsteps'], param['qeq_solver_q_err'], param['pre_comp_type'], pre_comp, pre_app, iters, spmv,
- param['threads'], time))
+ qeq, param['threads'], time))
if __name__ == '__main__':
@@ -124,21 +134,23 @@ if __name__ == '__main__':
data_dir = path.join(base_dir, 'data/benchmarks')
header_fmt_str = '{:20}|{:5}|{:5}|{:5}|{:10}|{:10}|{:10}|{:10}|{:10}|{:10}|{:10}\n'
+ header_str = ['Data Set', 'Steps', 'Q Tol', 'Pre T', 'Pre Comp',
+ 'Pre App', 'Iters', 'SpMV', 'QEq', 'Threads', 'Time (s)']
body_fmt_str = '{:20} {:5} {:5} {:5} {:10.6f} {:10.6f} {:10.6f} {:10.6f} {:10.6f} {:10} {:10.6f}\n'
params = {
'ensemble_type': ['0'],
- 'nsteps': ['20'],
- 'qeq_solver_type': ['2'],
- 'qeq_solver_q_err': ['1e-6'],
+ 'nsteps': ['20', '100', '500', '1000'],
+ 'qeq_solver_type': ['0'],
+ 'qeq_solver_q_err': ['1e-6', '1e-10'],
# 'qeq_solver_q_err': ['1e-6', '1e-8', '1e-10', '1e-14'],
- 'pre_comp_type': ['2'],
+ 'pre_comp_type': ['0'],
# 'pre_comp_type': ['0', '1', '2'],
- 'pre_comp_refactor': ['20'],
+ 'pre_comp_refactor': ['1'],
# 'pre_comp_sweeps': ['3'],
# 'pre_app_type': ['0'],
# 'pre_app_jacobi_iters': ['50'],
- 'threads': ['1'],
+ 'threads': ['12'],
# 'threads': ['1', '2', '4', '12', '24'],
'geo_format': ['1'],
}
@@ -147,39 +159,39 @@ if __name__ == '__main__':
TestCase(path.join(data_dir, 'water/water_6540.pdb'),
path.join(data_dir, 'water/ffield.water'),
path.join(control_dir, 'param.gpu.water'),
- params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
+ params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
# TestCase(path.join(data_dir, 'water/water_78480.pdb'),
# path.join(data_dir, 'water/ffield.water'),
# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
+# params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
# TestCase(path.join(data_dir, 'water/water_327000.geo'),
# path.join(data_dir, 'water/ffield.water'),
# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
-# TestCase(path.join(data_dir, 'bilayer/bilayer_56800.pdb'),
-# path.join(data_dir, 'bilayer/ffield-bio'),
-# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
-# TestCase(path.join(data_dir, 'dna/dna_19733.pdb'),
-# path.join(data_dir, 'dna/ffield-dna'),
-# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
-# TestCase(path.join(data_dir, 'silica/silica_6000.pdb'),
-# path.join(data_dir, 'silica/ffield-bio'),
-# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
+# params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
+ TestCase(path.join(data_dir, 'bilayer/bilayer_56800.pdb'),
+ path.join(data_dir, 'bilayer/ffield-bio'),
+ path.join(control_dir, 'param.gpu.water'),
+ params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
+ TestCase(path.join(data_dir, 'dna/dna_19733.pdb'),
+ path.join(data_dir, 'dna/ffield-dna'),
+ path.join(control_dir, 'param.gpu.water'),
+ params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
+ TestCase(path.join(data_dir, 'silica/silica_6000.pdb'),
+ path.join(data_dir, 'silica/ffield-bio'),
+ path.join(control_dir, 'param.gpu.water'),
+ params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
# TestCase(path.join(data_dir, 'silica/silica_72000.geo'),
# path.join(data_dir, 'silica/ffield-bio'),
# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
+# params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
# TestCase(path.join(data_dir, 'silica/silica_300000.geo'),
# path.join(data_dir, 'silica/ffield-bio'),
# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
-# TestCase(path.join(data_dir, 'petn/petn_48256.pdb'),
-# path.join(data_dir, 'petn/ffield.petn'),
-# path.join(control_dir, 'param.gpu.water'),
-# params=params, result_header_fmt=header_fmt_str, result_body_fmt=body_fmt_str),
+# params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
+ TestCase(path.join(data_dir, 'petn/petn_48256.pdb'),
+ path.join(data_dir, 'petn/ffield.petn'),
+ path.join(control_dir, 'param.gpu.water'),
+ params=params, result_header_fmt=header_fmt_str, result_header = header_str, result_body_fmt=body_fmt_str),
]
for test in test_cases:
- test.run()
+ test.run(bin_file='sPuReMD/bin/spuremd')
--
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