PyQUDA-Utils 0.10.1.dev2__tar.gz → 0.10.2.dev0__tar.gz

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PyQUDA-Utils
-Version: 0.10.1.dev2
+Version: 0.10.2.dev0
 Summary: Utility scripts based on PyQUDA
 Author-email: SaltyChiang <SaltyChiang@users.noreply.github.com>
 Maintainer-email: SaltyChiang <SaltyChiang@users.noreply.github.com>

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/PyQUDA_Utils.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: PyQUDA-Utils
-Version: 0.10.1.dev2
+Version: 0.10.2.dev0
 Summary: Utility scripts based on PyQUDA
 Author-email: SaltyChiang <SaltyChiang@users.noreply.github.com>
 Maintainer-email: SaltyChiang <SaltyChiang@users.noreply.github.com>

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_io/_field_utils.py

@@ -183,18 +183,14 @@ def gaugeReunitarize(gauge: numpy.ndarray, reunitarize_sigma: float):
     gauge[1] /= row1_abs
     row2 = numpy.cross(gauge[0], gauge[1], axis=0).conjugate()
     if reunitarize_sigma > 0:
-        assert (
-            MPI.COMM_WORLD.allreduce(
-                numpy.sqrt(
-                    (1 - row0_abs) ** 2
-                    + numpy.abs(row0_row1) ** 2
-                    + (1 - row1_abs) ** 2
-                    + numpy.linalg.norm(row2 - gauge[2], axis=0) ** 2
-                ).max(),
-                MPI.MAX,
-            )
-            < reunitarize_sigma
+        sigma = numpy.sqrt(
+            (1 - row0_abs) ** 2
+            + numpy.abs(row0_row1) ** 2
+            + (1 - row1_abs) ** 2
+            + numpy.linalg.norm(row2 - gauge[2], axis=0) ** 2
         )
+        failed = MPI.COMM_WORLD.allreduce(numpy.sum(sigma > reunitarize_sigma), MPI.SUM)
+        assert failed == 0, f"Reunitarization failed {failed} times"
     gauge[2] = row2
     return gauge.transpose(2, 3, 4, 5, 6, 0, 1)
 
@@ -212,13 +208,9 @@ def gaugeReunitarizeReconstruct12(gauge: numpy.ndarray, reunitarize_sigma: float
     gauge[1] /= row1_abs
     row2 = numpy.cross(gauge[0], gauge[1], axis=0).conjugate()
     if reunitarize_sigma > 0:
-        assert (
-            MPI.COMM_WORLD.allreduce(
-                numpy.sqrt((1 - row0_abs) ** 2 + numpy.abs(row0_row1) ** 2 + (1 - row1_abs) ** 2).max(),
-                MPI.MAX,
-            )
-            < reunitarize_sigma
-        )
+        sigma = numpy.sqrt((1 - row0_abs) ** 2 + numpy.abs(row0_row1) ** 2 + (1 - row1_abs) ** 2)
+        failed = MPI.COMM_WORLD.allreduce(numpy.sum(sigma > reunitarize_sigma), MPI.SUM)
+        assert failed == 0, f"Reunitarization failed {failed} times"
     gauge[2] = row2
     return gauge.transpose(2, 3, 4, 5, 6, 0, 1)
 

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_io/chroma.py

@@ -34,7 +34,7 @@ def checksum_qio(latt_size: List[int], grid_size: List[int], data):
     return sum29, sum31
 
 
-def readQIOGauge(filename: str, grid_size: List[int], checksum: bool = True, reunitarize_sigma: float = 2e-7):
+def readQIOGauge(filename: str, grid_size: List[int], checksum: bool = True, reunitarize_sigma: float = 5e-7):
     from .lime import Lime
 
     lime = Lime(filename)
@@ -68,7 +68,7 @@ def readQIOGauge(filename: str, grid_size: List[int], checksum: bool = True, reu
         ), f"Bad checksum for {filename}"
     gauge = gauge.transpose(4, 0, 1, 2, 3, 5, 6).astype("<c16")
     if precision == 4:
-        gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 2e-7: Nc**0.5 * 1.1920929e-07
+        gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 5e-7: Nc * 2**0.5 * 1.1920929e-07
     return latt_size, gauge
 
 

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_io/milc.py

@@ -55,7 +55,7 @@ def checksum_qio(latt_size: List[int], grid_size: List[int], data):
     return sum29, sum31
 
 
-def readGauge(filename: str, grid_size: List[int], checksum: bool = True, reunitarize_sigma: float = 2e-7):
+def readGauge(filename: str, grid_size: List[int], checksum: bool = True, reunitarize_sigma: float = 5e-7):
     filename = path.expanduser(path.expandvars(filename))
     with open(filename, "rb") as f:
         magic = f.read(4)
@@ -79,7 +79,7 @@ def readGauge(filename: str, grid_size: List[int], checksum: bool = True, reunit
             sum31,
         ), f"Bad checksum for {filename}"
     gauge = gauge.transpose(4, 0, 1, 2, 3, 5, 6).astype("<c16")
-    gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 2e-7: Nc**0.5 * 1.1920929e-07
+    gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 5e-7: Nc * 2**0.5 * 1.1920929e-07
     return latt_size, gauge
 
 

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_io/nersc.py

@@ -27,7 +27,7 @@ def readGauge(
     checksum: bool = True,
     plaquette: bool = True,
     link_trace: bool = True,
-    reunitarize_sigma: float = 2e-7,
+    reunitarize_sigma: float = 5e-7,
 ):
     filename = path.expanduser(path.expandvars(filename))
     header: Dict[str, str] = {}
@@ -63,7 +63,7 @@ def readGauge(
             assert checksum_nersc(gauge.reshape(-1)) == int(header["CHECKSUM"], 16), f"Bad checksum for {filename}"
         gauge = gauge.transpose(4, 0, 1, 2, 3, 5, 6).astype("<c16")
         if float_nbytes == 4:
-            gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 2e-7: Nc**0.5 * 1.1920929e-07
+            gauge = gaugeReunitarize(gauge, reunitarize_sigma)  # 5e-7: Nc * 2**0.5 * 1.1920929e-07
     elif header["DATATYPE"] == "4D_SU3_GAUGE":
         gauge = readMPIFile(filename, dtype, offset, (Lt, Lz, Ly, Lx, Nd, Nc - 1, Nc), (3, 2, 1, 0), grid_size)
         gauge = gauge.astype(f"<c{2 * float_nbytes}")
@@ -71,7 +71,7 @@ def readGauge(
             assert checksum_nersc(gauge.reshape(-1)) == int(header["CHECKSUM"], 16), f"Bad checksum for {filename}"
         gauge = gauge.transpose(4, 0, 1, 2, 3, 5, 6).astype("<c16")
         if float_nbytes == 4:
-            gauge = gaugeReunitarizeReconstruct12(gauge, reunitarize_sigma)  # 2e-7: Nc**0.5 * 1.1920929e-07
+            gauge = gaugeReunitarizeReconstruct12(gauge, reunitarize_sigma)  # 5e-7: Nc * 2 **0.5 * 1.1920929e-07
         elif float_nbytes == 8:
             gauge = gaugeReconstruct12(gauge)
     else:

pyquda_utils-0.10.2.dev0/pyquda_utils/_version.py

@@ -0,0 +1 @@
+__version__ = "0.10.2.dev0"

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_utils/core.py

@@ -377,10 +377,11 @@ def getHISQ(
     tol: float,
     maxiter: int,
     naik_epsilon: float = 0.0,
+    multigrid: Union[List[List[int]], Multigrid] = None,
 ):
     assert latt_info.anisotropy == 1.0
 
-    return fermion.HISQDirac(latt_info, mass, tol, maxiter, naik_epsilon, None)
+    return fermion.HISQDirac(latt_info, mass, tol, maxiter, naik_epsilon, multigrid)
 
 
 def getDefaultDirac(

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_utils/gauge_nd_sun.py

@@ -85,7 +85,7 @@ class LatticeLink:
         latt_size: Sequence[int],
         grid_size: Sequence[int],
         color: int,
-        matrix: numpy.ndarray = None,
+        value: numpy.ndarray = None,
         mu: int = None,
     ):
         assert len(latt_size) == len(grid_size)
@@ -95,28 +95,29 @@ class LatticeLink:
         self.grid_size = tuple(grid_size)
         self.grid_coord = getGridCoord(grid_size)
         self.sublatt_size = getSublatticeSize(latt_size, grid_size)
-        if matrix is None:
-            self.matrix = numpy.empty((*self.sublatt_size[::-1], self.Nc, self.Nc), numpy.complex128)
+        if value is None:
+            self.data = numpy.empty((*self.sublatt_size[::-1], self.Nc, self.Nc), numpy.complex128)
+            self.data[...] = numpy.identity(self.Nc, dtype=numpy.complex128)
         else:
-            self.matrix = matrix.reshape(*self.sublatt_size[::-1], self.Nc, self.Nc)
+            self.data = value.reshape(*self.sublatt_size[::-1], self.Nc, self.Nc)
         self.mu = mu
 
     def __getitem__(self, key):
-        return self.matrix[key]
+        return self.data[key]
 
     def __matmul__(self, other: "LatticeLink"):
-        return self.matrix @ other.matrix
+        return self.data @ other.data
 
     @property
     def backend(self):
-        if type(self.matrix).__module__ == "numpy":
+        if type(self.data).__module__ == "numpy":
             return numpy
-        elif type(self.matrix).__module__ == "cupy":
+        elif type(self.data).__module__ == "cupy":
             import cupy
 
             return cupy
         else:
-            raise RuntimeError(f"Unknown array type {type(self.matrix)}")
+            raise RuntimeError(f"Unknown array type {type(self.data)}")
 
     def shift(self, mu: int, dagger: bool = False):
         assert 0 <= mu < 2 * self.Nd
@@ -126,8 +127,8 @@ class LatticeLink:
         mu = mu % self.Nd
         left_slice = [slice(None, None) for nu in range(self.Nd)]
         right_slice = [slice(None, None) for nu in range(self.Nd)]
-        result = backend.empty_like(self.matrix)
-        right = self.matrix
+        result = backend.empty_like(self.data)
+        right = self.data
         rank = _RANK
         dest = getShiftedRank(self.grid_coord, self.grid_size, [0 if nu != mu else -dir for nu in range(Nd)])
         source = getShiftedRank(self.grid_coord, self.grid_size, [0 if nu != mu else dir for nu in range(Nd)])
@@ -161,7 +162,7 @@ class LatticeLink:
 
         return LatticeLink(self.latt_size, self.grid_size, self.Nc, result, self.mu)
 
-    def link(self, right: "LatticeLink"):
+    def matmul_shift(self, right: "LatticeLink"):
         assert self.mu is not None, "Ambiguous dimension and direction"
         backend = self.backend
         Nd = self.Nd
@@ -169,9 +170,9 @@ class LatticeLink:
         mu = self.mu % self.Nd
         left_slice = [slice(None, None) for nu in range(self.Nd)]
         right_slice = [slice(None, None) for nu in range(self.Nd)]
-        result = backend.empty_like(self.matrix)
-        left = self.matrix
-        right = right.matrix
+        result = backend.empty_like(self.data)
+        left = self.data
+        right = right.data
         rank = _RANK
         dest = getShiftedRank(self.grid_coord, self.grid_size, [0 if nu != mu else -dir for nu in range(Nd)])
         source = getShiftedRank(self.grid_coord, self.grid_size, [0 if nu != mu else dir for nu in range(Nd)])
@@ -207,7 +208,7 @@ class LatticeLink:
             self.latt_size,
             self.grid_size,
             self.Nc,
-            self.matrix.swapaxes(-2, -1).conjugate(),
+            self.data.swapaxes(-2, -1).conjugate(),
         )
 
     def toDevice(self):
@@ -215,10 +216,10 @@ class LatticeLink:
 
         if _GPUID < 0:
             initGPU()
-        self.matrix = cupy.asarray(self.matrix)
+        self.data = cupy.asarray(self.data)
 
     def toHost(self):
-        self.matrix = self.matrix.get()
+        self.data = self.data.get()
 
 
 class LatticeGauge:
@@ -228,7 +229,7 @@ class LatticeGauge:
         grid_size: Sequence[int],
         color: int,
         border: int = 0,
-        gauge: numpy.ndarray = None,
+        value: numpy.ndarray = None,
         extended: numpy.ndarray = None,
     ):
         assert len(latt_size) == len(grid_size)
@@ -239,27 +240,28 @@ class LatticeGauge:
         self.grid_coord = getGridCoord(grid_size)
         self.sublatt_size = getSublatticeSize(latt_size, grid_size)
         shape = (self.Nd, *self.sublatt_size[::-1], self.Nc, self.Nc)
-        if gauge is None:
-            self.gauge = numpy.empty(shape, numpy.complex128)
+        if value is None:
+            self.data = numpy.empty(shape, numpy.complex128)
+            self.data[...] = numpy.identity(self.Nc, dtype=numpy.complex128)
         else:
-            self.gauge = gauge.reshape(shape)
+            self.data = value.reshape(shape)
         self.extend(border, extended)
 
     def __getitem__(self, mu):
         assert 0 <= mu < 2 * self.Nd
-        gauge_mu = LatticeLink(self.latt_size, self.grid_size, self.Nc, self.gauge[mu % self.Nd], mu)
+        gauge_mu = LatticeLink(self.latt_size, self.grid_size, self.Nc, self.data[mu % self.Nd], mu)
         return gauge_mu if mu < self.Nd else gauge_mu.shift(mu, True)
 
     @property
     def backend(self):
-        if type(self.gauge).__module__ == "numpy":
+        if type(self.data).__module__ == "numpy":
             return numpy
-        elif type(self.gauge).__module__ == "cupy":
+        elif type(self.data).__module__ == "cupy":
             import cupy
 
             return cupy
         else:
-            raise RuntimeError(f"Unknown array type {type(self.gauge)}")
+            raise RuntimeError(f"Unknown array type {type(self.data)}")
 
     def extend(self, border: int, extended: numpy.ndarray = None):
         if border <= 0:
@@ -271,7 +273,7 @@ class LatticeGauge:
             self.extlatt_size = [L + 2 * border for L in self.sublatt_size]
             shape = (self.Nd, *self.extlatt_size[::-1], self.Nc, self.Nc)
             if extended is None:
-                self.extended = self.backend.empty(shape, self.gauge.dtype)
+                self.extended = self.backend.empty(shape, self.data.dtype)
             else:
                 self.extended = extended.reshape(shape)
             self.exchange()
@@ -294,7 +296,7 @@ class LatticeGauge:
                     gauge_slice[mu] = slice(-Lb, None)
             gaugeSendRecv(
                 self.extended[:, *extended_slice[::-1]],
-                self.gauge[:, *gauge_slice[::-1]],
+                self.data[:, *gauge_slice[::-1]],
                 getShiftedRank(self.grid_coord, self.grid_size, delta),
                 getShiftedRank(self.grid_coord, self.grid_size, [-d for d in delta]),
             )
@@ -314,12 +316,12 @@ class LatticeGauge:
 
         if _GPUID < 0:
             initGPU()
-        self.gauge = cupy.asarray(self.gauge)
+        self.data = cupy.asarray(self.data)
         if self.extended is not None:
             self.extended = cupy.asarray(self.extended)
 
     def toHost(self):
-        self.gauge = self.gauge.get()
+        self.data = self.data.get()
         if self.extended is not None:
             self.extended = self.extended.get()
 
@@ -327,5 +329,5 @@ class LatticeGauge:
 def link(*color_matrices: LatticeLink):
     linked = color_matrices[-1]
     for color_matrix in color_matrices[::-1][1:]:
-        linked = color_matrix.link(linked)
+        linked = color_matrix.matmul_shift(linked)
     return linked

{pyquda_utils-0.10.1.dev2 → pyquda_utils-0.10.2.dev0}/pyquda_utils/io/__init__.py

@@ -69,7 +69,7 @@ def rotateToDeGrandRossi(propagator: LatticePropagator):
     )
 
 
-def readChromaQIOGauge(filename: str, checksum: bool = True, reunitarize_sigma: float = 2e-7):
+def readChromaQIOGauge(filename: str, checksum: bool = True, reunitarize_sigma: float = 5e-7):
     from pyquda import getGridSize
     from pyquda_io.chroma import readQIOGauge as read
 
@@ -96,7 +96,7 @@ def readChromaQIOPropagator(filename: str, checksum: bool = True):
         return LatticeStaggeredPropagator(LatticeInfo(latt_size), evenodd(propagator_raw, [0, 1, 2, 3]))
 
 
-def readMILCGauge(filename: str, checksum: bool = True, reunitarize_sigma: float = 2e-7):
+def readMILCGauge(filename: str, checksum: bool = True, reunitarize_sigma: float = 5e-7):
     from pyquda import getGridSize
     from pyquda_io.milc import readGauge as read
 
@@ -244,7 +244,7 @@ def readNERSCGauge(
     checksum: bool = True,
     plaquette: bool = True,
     link_trace: bool = True,
-    reunitarize_sigma: float = 2e-7,
+    reunitarize_sigma: float = 5e-7,
 ):
     from pyquda import getGridSize
     from pyquda_io.nersc import readGauge as read

pyquda_utils-0.10.1.dev2/pyquda_utils/_version.py

@@ -1 +0,0 @@
-__version__ = "0.10.1.dev2"