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Fix prange race conditions.

This commit is contained in:
Marek Nečada 2020-07-26 13:11:41 +03:00
parent 1158e116d2
commit 7e390180cd
1 changed files with 4 additions and 4 deletions
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8
qpms/qpms_c.pyx
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@ -1093,10 +1093,10 @@ cdef class _ScatteringSystemAtOmegaK:
cdef np.ndarray[double,ndim=2] evalpos_a = evalpos.reshape(-1,3) cdef np.ndarray[double,ndim=2] evalpos_a = evalpos.reshape(-1,3)
cdef np.ndarray[complex, ndim=3] results = np.empty((evalpos_a.shape[0], fecv_size, 3), dtype=complex) cdef np.ndarray[complex, ndim=3] results = np.empty((evalpos_a.shape[0], fecv_size, 3), dtype=complex)
cdef ccart3_t *res cdef ccart3_t *res
res = <ccart3_t *> malloc(fecv_size*sizeof(ccart3_t))
cdef cart3_t pos cdef cart3_t pos
cdef Py_ssize_t i, j cdef Py_ssize_t i, j
with nogil, wraparound(False), parallel(): with nogil, wraparound(False), parallel():
res = <ccart3_t *> malloc(fecv_size*sizeof(ccart3_t))
for i in prange(evalpos_a.shape[0]): for i in prange(evalpos_a.shape[0]):
pos.x = evalpos_a[i,0] pos.x = evalpos_a[i,0]
pos.y = evalpos_a[i,1] pos.y = evalpos_a[i,1]
@ -1106,7 +1106,7 @@ cdef class _ScatteringSystemAtOmegaK:
results[i,j,0] = res[j].x results[i,j,0] = res[j].x
results[i,j,1] = res[j].y results[i,j,1] = res[j].y
results[i,j,2] = res[j].z results[i,j,2] = res[j].z
free(res) free(res)
return results.reshape(evalpos.shape[:-1] + (self.fecv_size, 3)) return results.reshape(evalpos.shape[:-1] + (self.fecv_size, 3))
property fecv_size: property fecv_size:
@ -1326,10 +1326,10 @@ cdef class _ScatteringSystemAtOmega:
cdef np.ndarray[double,ndim=2] evalpos_a = evalpos.reshape(-1,3) cdef np.ndarray[double,ndim=2] evalpos_a = evalpos.reshape(-1,3)
cdef np.ndarray[complex, ndim=3] results = np.empty((evalpos_a.shape[0], basissize, 3), dtype=complex) cdef np.ndarray[complex, ndim=3] results = np.empty((evalpos_a.shape[0], basissize, 3), dtype=complex)
cdef ccart3_t *res cdef ccart3_t *res
res = <ccart3_t *> malloc(basissize*sizeof(ccart3_t))
cdef cart3_t pos cdef cart3_t pos
cdef Py_ssize_t i, j cdef Py_ssize_t i, j
with nogil, wraparound(False), parallel(): with nogil, wraparound(False), parallel():
res = <ccart3_t *> malloc(basissize*sizeof(ccart3_t)) # thread-local
for i in prange(evalpos_a.shape[0]): for i in prange(evalpos_a.shape[0]):
pos.x = evalpos_a[i,0] pos.x = evalpos_a[i,0]
pos.y = evalpos_a[i,1] pos.y = evalpos_a[i,1]
@ -1342,7 +1342,7 @@ cdef class _ScatteringSystemAtOmega:
results[i,j,0] = res[j].x results[i,j,0] = res[j].x
results[i,j,1] = res[j].y results[i,j,1] = res[j].y
results[i,j,2] = res[j].z results[i,j,2] = res[j].z
free(res) free(res)
return results.reshape(evalpos.shape[:-1] + (basissize, 3)) return results.reshape(evalpos.shape[:-1] + (basissize, 3))
def bspec_pi(self, pi): def bspec_pi(self, pi):