Repository: OceanParcels/parcels
Pull request #366 (2018-05-03 06:43:18)

Chunksize control particlefile
Adding `chunksize` argument to `ParticleFile` class, to allow for control of the netcdf chunk size, and hence the size of the output file. See also https://www.unidata.ucar.edu/blogs/developer/entry/chunking_data_choosing_shapes

In the test, the file size goes from approx 27MB without chunking to less than 60KB with `chunksize` set to the `[len(pset), 1]` value. However, this may lead to slower I/O (to be confirmed).

I would be very grateful if people could run their 'production runs' with this PR and report whether
1) Their output files indeed reduce in size
2) Their walltime doesn't dramatically increase

Once we've got some reports that all is ok, then we can merge

This PR fixes issue #357


Patch:
diff --git a/parcels/examples/example_globcurrent.py b/parcels/examples/example_globcurrent.py
index adbfc80d..24d8b0a2 100644
--- a/parcels/examples/example_globcurrent.py
+++ b/parcels/examples/example_globcurrent.py
@@ -90,7 +90,7 @@ def test__particles_init_time():
     assert pset[0].time - pset4[0].time == 0
 
 
-@pytest.mark.xfail(reason="Time extrapolation error expected to be thrown")
+@pytest.mark.xfail(reason="Time extrapolation error expected to be thrown", strict=True)
 @pytest.mark.parametrize('mode', ['scipy', 'jit'])
 def test_globcurrent_time_extrapolation_error(mode):
     fieldset = set_globcurrent_fieldset()
diff --git a/parcels/examples/tutorial_delaystart.ipynb b/parcels/examples/tutorial_delaystart.ipynb
index 5dae32a5..c9057945 100644
--- a/parcels/examples/tutorial_delaystart.ipynb
+++ b/parcels/examples/tutorial_delaystart.ipynb
@@ -95,7 +95,7 @@
      "name": "stderr",
      "output_type": "stream",
      "text": [
-      "INFO: Compiled JITParticleAdvectionRK4 ==> /var/folders/r2/8593q8z93kd7t4j9kbb_f7p00000gn/T/parcels-501/4b31da299158ef673e01491b786d6e1b.so\n"
+      "INFO: Compiled JITParticleAdvectionRK4 ==> /var/folders/r2/8593q8z93kd7t4j9kbb_f7p00000gr/T/parcels-504/81520c184d4db077b5cb52329fa35d84.so\n"
      ]
     }
    ],
@@ -121,297 +121,329 @@
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+       "dGNvAAAAAAAAAAEAAAAsAAAAYnVkdGEAAABabWV0YQAAAAAAAAAhaGRscgAAAAAAAAAAbWRpcmFw\n",
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        "\">\n",
        "  Your browser does not support the video tag.\n",
        "</video>"
       ],
       "text/plain": [
-       "<matplotlib.animation.FuncAnimation at 0x1246bddd0>"
+       "<matplotlib.animation.FuncAnimation at 0x31a9042d0>"
       ]
      },
      "execution_count": 5,
@@ -467,7 +499,7 @@
      "name": "stderr",
      "output_type": "stream",
      "text": [
-      "INFO: Compiled JITParticleAdvectionRK4 ==> /var/folders/r2/8593q8z93kd7t4j9kbb_f7p00000gn/T/parcels-501/bcc7e3a29987978e9d717aaf17db0773.so\n"
+      "INFO: Compiled JITParticleAdvectionRK4 ==> /var/folders/r2/8593q8z93kd7t4j9kbb_f7p00000gr/T/parcels-504/b9bd780572bec22250252510b7e4653a.so\n"
      ]
     }
    ],
@@ -484,387 +516,843 @@
     "And we get an animation where a new particle is released every 3 hours from each start location"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
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+       "dmY1Ny41Ni4xMDE=\n",
+       "\">\n",
+       "  Your browser does not support the video tag.\n",
+       "</video>"
+      ],
+      "text/plain": [
+       "<matplotlib.animation.FuncAnimation at 0x31abc6510>"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "plotTrajectoriesFile('DelayParticle_releasedt.nc', mode='movie2d_notebook')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Note that, if you want to if you want to at some point stop the repeatdt, the easiest implementation is to use two calls to `pset.execute()`. For example, if in the above example you only want four releases of the pset, you could do the following"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": 9,
    "metadata": {},
    "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO: Compiled JITParticleAdvectionRK4 ==> /var/folders/r2/8593q8z93kd7t4j9kbb_f7p00000gr/T/parcels-504/30539b74bc56c7259cf7f2e7d8a934ca.so\n"
+     ]
+    },
     {
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+       "AQAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAA\n",
+       "AAAAAAAAAAAAAAAAAAAAAAAAAgAAAzx0cmFrAAAAXHRraGQAAAADAAAAAAAAAAAAAAABAAAAAAAA\n",
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+       "AAAEAAAAAAEAABAAAAAAAgAABAAAAAABAAAUAAAAAAEAAAgAAAAAAQAAAAAAAAABAAAEAAAAAAEA\n",
+       "AAgAAAAAHHN0c2MAAAAAAAAAAQAAAAEAAAAXAAAAAQAAAHBzdHN6AAAAAAAAAAAAAAAXAAAVggAA\n",
+       "BgIAAAOqAAACGwAABXwAAAL9AAAAzwAAAYEAAAI8AAAB7QAAAcMAAAHVAAABuQAAAP0AAAFIAAAC\n",
+       "sAAAAX0AAAFJAAAEVQAAAjsAAAFSAAABFgAAAjwAAAAUc3RjbwAAAAAAAAABAAAALAAAAGJ1ZHRh\n",
+       "AAAAWm1ldGEAAAAAAAAAIWhkbHIAAAAAAAAAAG1kaXJhcHBsAAAAAAAAAAAAAAAALWlsc3QAAAAl\n",
+       "qXRvbwAAAB1kYXRhAAAAAQAAAABMYXZmNTcuNTYuMTAx\n",
        "\">\n",
        "  Your browser does not support the video tag.\n",
        "</video>"
       ],
       "text/plain": [
-       "<matplotlib.animation.FuncAnimation at 0x126b2ff50>"
+       "<matplotlib.animation.FuncAnimation at 0x31ae17f50>"
       ]
      },
      "execution_count": 9,
@@ -873,8 +1361,29 @@
     }
    ],
    "source": [
-    "plotTrajectoriesFile('DelayParticle_releasedt.nc', mode='movie2d_notebook')"
+    "pset = ParticleSet(fieldset=fieldset, pclass=JITParticle, lon=lon, lat=lat, repeatdt=repeatdt)\n",
+    "output_file = pset.ParticleFile(name=\"DelayParticle_releasedt_9hrs\", outputdt=delta(hours=1))\n",
+    "\n",
+    "# first run for 3 * 3 hrs\n",
+    "pset.execute(AdvectionRK4, runtime=delta(hours=8), dt=delta(minutes=5),\n",
+    "             output_file=output_file)\n",
+    "\n",
+    "# now stop the repeated release\n",
+    "pset.repeatdt = None\n",
+    "\n",
+    "# now continue running for the remaining 15 hours\n",
+    "pset.execute(AdvectionRK4, runtime=delta(hours=15), dt=delta(minutes=5),\n",
+    "             output_file=output_file)\n",
+    "\n",
+    "plotTrajectoriesFile('DelayParticle_releasedt_9hrs.nc', mode='movie2d_notebook')"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {
@@ -893,7 +1402,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython2",
-   "version": "2.7.14"
+   "version": "2.7.15"
   }
  },
  "nbformat": 4,
diff --git a/parcels/particlefile.py b/parcels/particlefile.py
index 3f1a18ad..1f5de259 100644
--- a/parcels/particlefile.py
+++ b/parcels/particlefile.py
@@ -28,11 +28,14 @@ class ParticleFile(object):
                      while ParticleFile is given as an argument of ParticleSet.execute()
                      It is either a timedelta object or a positive double.
     :param write_ondelete: Boolean to write particle data only when they are deleted. Default is False
+    :param chunksizes: 2d vector of sizes for NetCDF chunking. Lower values means smaller files, but also slower IO.
+                       See e.g. https://www.unidata.ucar.edu/blogs/developer/entry/chunking_data_choosing_shapes
     """
 
-    def __init__(self, name, particleset, outputdt=np.infty, write_ondelete=False):
+    def __init__(self, name, particleset, outputdt=np.infty, write_ondelete=False, chunksizes=None):
 
         self.name = name
+        self.chunksizes = [max([len(particleset), 1]), 1] if chunksizes is None else chunksizes
         self.write_ondelete = write_ondelete
         self.outputdt = outputdt
         self.lasttraj = 0  # id of last particle written
@@ -53,12 +56,12 @@ class ParticleFile(object):
         self.dataset.ncei_template_version = "NCEI_NetCDF_Trajectory_Template_v2.0"
 
         # Create ID variable according to CF conventions
-        self.id = self.dataset.createVariable("trajectory", "i4", coords)
+        self.id = self.dataset.createVariable("trajectory", "i4", coords, chunksizes=self.chunksizes)
         self.id.long_name = "Unique identifier for each particle"
         self.id.cf_role = "trajectory_id"
 
         # Create time, lat, lon and z variables according to CF conventions:
-        self.time = self.dataset.createVariable("time", "f8", coords, fill_value=np.nan)
+        self.time = self.dataset.createVariable("time", "f8", coords, fill_value=np.nan, chunksizes=self.chunksizes)
         self.time.long_name = ""
         self.time.standard_name = "time"
         if self.particleset.time_origin == 0:
@@ -68,19 +71,19 @@ class ParticleFile(object):
             self.time.calendar = "julian"
         self.time.axis = "T"
 
-        self.lat = self.dataset.createVariable("lat", "f4", coords, fill_value=np.nan)
+        self.lat = self.dataset.createVariable("lat", "f4", coords, fill_value=np.nan, chunksizes=self.chunksizes)
         self.lat.long_name = ""
         self.lat.standard_name = "latitude"
         self.lat.units = "degrees_north"
         self.lat.axis = "Y"
 
-        self.lon = self.dataset.createVariable("lon", "f4", coords, fill_value=np.nan)
+        self.lon = self.dataset.createVariable("lon", "f4", coords, fill_value=np.nan, chunksizes=self.chunksizes)
         self.lon.long_name = ""
         self.lon.standard_name = "longitude"
         self.lon.units = "degrees_east"
         self.lon.axis = "X"
 
-        self.z = self.dataset.createVariable("z", "f4", coords, fill_value=np.nan)
+        self.z = self.dataset.createVariable("z", "f4", coords, fill_value=np.nan, chunksizes=self.chunksizes)
         self.z.long_name = ""
         self.z.standard_name = "depth"
         self.z.units = "m"
@@ -98,10 +101,10 @@ class ParticleFile(object):
                 continue
             if v.to_write:
                 if v.to_write is True:
-                    setattr(self, v.name, self.dataset.createVariable(v.name, "f4", coords, fill_value=np.nan))
+                    setattr(self, v.name, self.dataset.createVariable(v.name, "f4", coords, fill_value=np.nan, chunksizes=self.chunksizes))
                     self.user_vars += [v.name]
                 elif v.to_write == 'once':
-                    setattr(self, v.name, self.dataset.createVariable(v.name, "f4", "traj", fill_value=np.nan))
+                    setattr(self, v.name, self.dataset.createVariable(v.name, "f4", "traj", fill_value=np.nan, chunksizes=[self.chunksizes[0]]))
                     self.user_vars_once += [v.name]
                 getattr(self, v.name).long_name = ""
                 getattr(self, v.name).standard_name = v.name
@@ -133,7 +136,7 @@ class ParticleFile(object):
            (self.write_ondelete is False or deleted_only is True):
             if pset.size > 0:
 
-                first_write = [p for p in pset if p.fileid < 0 or len(self.idx) == 0]  # len(self.idx)==0 in case pset is written to new ParticleFile
+                first_write = [p for p in pset if (p.fileid < 0 or len(self.idx) == 0) and p.dt*p.time <= p.dt*time]  # len(self.idx)==0 in case pset is written to new ParticleFile
                 for p in first_write:
                     p.fileid = self.lasttraj
                     self.lasttraj += 1
@@ -141,14 +144,15 @@ class ParticleFile(object):
                 self.idx = np.append(self.idx, np.zeros(len(first_write)))
 
                 for p in pset:
-                    i = p.fileid
-                    self.id[i, self.idx[i]] = p.id
-                    self.time[i, self.idx[i]] = time
-                    self.lat[i, self.idx[i]] = p.lat
-                    self.lon[i, self.idx[i]] = p.lon
-                    self.z[i, self.idx[i]] = p.depth
-                    for var in self.user_vars:
-                        getattr(self, var)[i, self.idx[i]] = getattr(p, var)
+                    if p.dt*p.time <= p.dt*time:  # don't write particles if they haven't started yet
+                        i = p.fileid
+                        self.id[i, self.idx[i]] = p.id
+                        self.time[i, self.idx[i]] = time
+                        self.lat[i, self.idx[i]] = p.lat
+                        self.lon[i, self.idx[i]] = p.lon
+                        self.z[i, self.idx[i]] = p.depth
+                        for var in self.user_vars:
+                            getattr(self, var)[i, self.idx[i]] = getattr(p, var)
                 for p in first_write:
                     for var in self.user_vars_once:
                         getattr(self, var)[p.fileid] = getattr(p, var)


Test patch:
diff --git a/tests/test_particle_sets.py b/tests/test_particle_sets.py
index 190e923a..00f6db3c 100644
--- a/tests/test_particle_sets.py
+++ b/tests/test_particle_sets.py
@@ -2,6 +2,7 @@ from parcels import (FieldSet, ParticleSet, Field, ScipyParticle, JITParticle,
                      Variable, ErrorCode)
 import numpy as np
 import pytest
+import os
 from netCDF4 import Dataset
 
 ptype = {'scipy': ScipyParticle, 'jit': JITParticle}
@@ -93,18 +94,22 @@ def test_pset_repeated_release(fieldset, mode, npart=10):
     assert np.allclose([p.lon for p in pset], np.arange(npart, 0, -1))
 
 
+@pytest.mark.parametrize('type', ['releasedt', 'timearr'])
 @pytest.mark.parametrize('mode', ['scipy', 'jit'])
 @pytest.mark.parametrize('repeatdt', range(1, 3))
 @pytest.mark.parametrize('dt', [-1, 1])
 @pytest.mark.parametrize('maxvar', [2, 4, 10])
-def test_pset_repeated_release_delayed_adding_deleting(fieldset, mode, repeatdt, tmpdir, dt, maxvar, runtime=10):
+def test_pset_repeated_release_delayed_adding_deleting(type, fieldset, mode, repeatdt, tmpdir, dt, maxvar, runtime=10):
     fieldset.maxvar = maxvar
 
     class MyParticle(ptype[mode]):
         sample_var = Variable('sample_var', initial=0.)
-    pset = ParticleSet(fieldset, lon=[0], lat=[0], pclass=MyParticle, repeatdt=repeatdt)
-    outfilepath = tmpdir.join("pfile_repeatdt")
-    pfile = pset.ParticleFile(outfilepath, outputdt=abs(dt))
+    if type == 'releasedt':
+        pset = ParticleSet(fieldset, lon=[0], lat=[0], pclass=MyParticle, repeatdt=repeatdt)
+    elif type == 'timearr':
+        pset = ParticleSet(fieldset, lon=np.zeros(runtime), lat=np.zeros(runtime), pclass=MyParticle, time=list(range(runtime)))
+    outfilepath = tmpdir.join("pfile_repeated_release")
+    pfile = pset.ParticleFile(outfilepath, outputdt=abs(dt), chunksizes=[len(pset), 1])
 
     def IncrLon(particle, fieldset, time, dt):
         particle.sample_var += 1.
@@ -112,15 +117,19 @@ def test_pset_repeated_release_delayed_adding_deleting(fieldset, mode, repeatdt,
             particle.delete()
     for i in range(runtime):
         pset.execute(IncrLon, dt=dt, runtime=1., output_file=pfile)
-    assert np.allclose([p.sample_var for p in pset], np.arange(maxvar, -1, -repeatdt))
     ncfile = Dataset(outfilepath+".nc", 'r', 'NETCDF4')
     samplevar = ncfile.variables['sample_var'][:]
-    assert samplevar.shape == (runtime // repeatdt+1, min(maxvar+1, runtime)+1)
-    if repeatdt == 0:
-        # test whether samplevar[i, i+k] = k for k=range(maxvar)
-        for k in range(maxvar):
-            for i in range(runtime-k):
-                assert(samplevar[i, i+k] == k)
+    ncfile.close()
+    if type == 'releasedt':
+        assert samplevar.shape == (runtime // repeatdt+1, min(maxvar+1, runtime)+1)
+        assert np.allclose([p.sample_var for p in pset], np.arange(maxvar, -1, -repeatdt))
+    elif type == 'timearr':
+        assert samplevar.shape == (runtime, min(maxvar + 1, runtime) + 1)
+    # test whether samplevar[:, k] = k
+    for k in range(samplevar.shape[1]):
+        assert np.allclose([p for p in samplevar[:, k] if np.isfinite(p)], k)
+    filesize = os.path.getsize(str(outfilepath+".nc"))
+    assert filesize < 1024 * 60  # test that chunking leads to filesize less than 60KB
 
 
 def test_pset_repeatdt_check_dt(fieldset):