The same applies to FileTemplate instances passed to ParameterStudy with the
`templates` keyword.
"""
import os
import numpy as np
from pwtools import common, batch, sql, comb
pj = os.path.join
# step 1
# ------
#
# Define study_name. Use any string you like.
#
study_name = "job_" + os.path.basename(common.fullpath("."))
# step 2
# ------
#
# Create Machine instances. For each machine, calculations are written to
# calc_host0/ and calc_host1/, if requested in ParameterStudy. Job template files
# are defined by `filename` or `template`. These are usually shell scripts which
# you use on a cluster to submit the job to a batch system such as LSF, PBS,
# SLURM, ...
#
host0 = batch.Machine(
hostname="host0", subcmd="bash", scratch="/tmp", filename="calc.templ/job.host0", home="/home/schmerler"
)
host1 = batch.Machine(
Result of fft(...)
dt : time step
area : integral area
"""
full_faxis = np.fft.fftfreq(full_y.shape[0], dt)
split_idx = full_faxis.shape[0]/2
y_out = full_y[:split_idx]
faxis = full_faxis[:split_idx]
return faxis, num.norm_int(y_out, faxis, area=area)
###############################################################################
# common settings for 1d and 3d case
###############################################################################
fourier_exe = common.fullpath('~/soft/bin/fourier.x')
fourier_dir = '/tmp/fourier_test'
use_fourier = os.path.exists(fourier_exe)
print "temp dir: %s" %fourier_dir
print "trying to find fourier.x: %s" %fourier_exe
if use_fourier:
print "ok, will use fourier.x"
if os.path.exists(fourier_dir):
shutil.rmtree(fourier_dir)
os.makedirs(fourier_dir)
else:
os.makedirs(fourier_dir)
else:
print "not found, will skip fourier.x"
# For the calculation of nstep and dt, we increase `fmax` to
Result of fft(...)
dt : time step
area : integral area
"""
full_faxis = np.fft.fftfreq(full_y.shape[0], dt)
split_idx = full_faxis.shape[0] / 2
y_out = full_y[:split_idx]
faxis = full_faxis[:split_idx]
return faxis, num.norm_int(y_out, faxis, area=area)
###############################################################################
# common settings for 1d and 3d case
###############################################################################
fourier_exe = common.fullpath('~/soft/bin/fourier.x')
fourier_dir = '/tmp/fourier_test'
use_fourier = os.path.exists(fourier_exe)
print("temp dir: %s" % fourier_dir)
print("trying to find fourier.x: %s" % fourier_exe)
if use_fourier:
print("ok, will use fourier.x")
if os.path.exists(fourier_dir):
shutil.rmtree(fourier_dir)
os.makedirs(fourier_dir)
else:
os.makedirs(fourier_dir)
else:
print("not found, will skip fourier.x")
# For the calculation of nstep and dt, we increase `fmax` to
The same applies to FileTemplate instances passed to ParameterStudy with the
`templates` keyword.
"""
import os
import numpy as np
from pwtools import common, batch, sql, comb
pj = os.path.join
# step 1
# ------
#
# Define study_name. Use any string you like.
#
study_name = 'job_' + os.path.basename(common.fullpath('.'))
# step 2
# ------
#
# Create Machine instances. For each machine, calculations are written to
# calc_host0/ and calc_host1/, if requested in ParameterStudy. Job template files
# are defined by `filename` or `template`. These are usually shell scripts which
# you use on a cluster to submit the job to a batch system such as LSF, PBS,
# SLURM, ...
#
host0 = \
batch.Machine(hostname='host0',
subcmd='bash',
scratch='/tmp',
filename='calc.templ/job.host0',
