Attribute error in PeriodicConfigs object
cychow2 opened this issue · 2 comments
cychow2 commented
When I try to run a dmc with pyqmc.dmc.rundmc(wf, configs, tstep=0.02, accumulators=acc, verbose=True, nblocks=200, hdf_file=out_dmc_chkfile, client=client, npartitions=npartitions), I got the error below.
Calling _dist instead of dist seems to cause the error, and it seems to be something overlooked in the recent refactoring.
Traceback (most recent call last):
File "/projects/wagner/cychow2/research/cco/paper_geometry/pbe0/qmc/geminal/sjg_j_dmc.py", line 71, in <module>
pyqmc.dmc.rundmc(wf, configs, tstep=0.02, accumulators=acc, verbose=True, nblocks=200, hdf_file=out_dmc_chkfile, client=client, npartitions=npartitions)
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/dmc.py", line 467, in rundmc
df, configs = mc.vmc(
^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/mc.py", line 253, in vmc
block_avg, configs = vmc_parallel(
^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/mc.py", line 155, in vmc_parallel
config = configs.split(npartitions)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/coord.py", line 200, in split
return [PeriodicConfigs(c, self.lvecs, w, dist=self._dist) for c, w in zip(clist, wlist)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/coord.py", line 200, in <listcomp>
return [PeriodicConfigs(c, self.lvecs, w, dist=self._dist) for c, w in zip(clist, wlist)]
^^^^^^^^^^
AttributeError: 'PeriodicConfigs' object has no attribute '_dist'. Did you mean: 'dist'?
willwheelera commented
It may just be a typo. Can you try removing the underscore and see if it
works properly?
Chun Yu Chow ***@***.***> schrieb am Fr., 26. Jan. 2024,
17:34:
… When I try to run a dmc with pyqmc.dmc.rundmc(wf, configs, tstep=0.02,
accumulators=acc, verbose=True, nblocks=200, hdf_file=out_dmc_chkfile,
client=client, npartitions=npartitions), I got the error below.
Calling _dist instead of dist seems to cause the error, and it seems to
be something overlooked in the recent refactoring.
Traceback (most recent call last):
File "/projects/wagner/cychow2/research/cco/paper_geometry/pbe0/qmc/geminal/sjg_j_dmc.py", line 71, in <module>
pyqmc.dmc.rundmc(wf, configs, tstep=0.02, accumulators=acc, verbose=True, nblocks=200, hdf_file=out_dmc_chkfile, client=client, npartitions=npartitions)
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/dmc.py", line 467, in rundmc
df, configs = mc.vmc(
^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/mc.py", line 253, in vmc
block_avg, configs = vmc_parallel(
^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/mc.py", line 155, in vmc_parallel
config = configs.split(npartitions)
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/coord.py", line 200, in split
return [PeriodicConfigs(c, self.lvecs, w, dist=self._dist) for c, w in zip(clist, wlist)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/projects/wagner/cychow2/.conda/envs/cco-new/lib/python3.11/site-packages/pyqmc/coord.py", line 200, in <listcomp>
return [PeriodicConfigs(c, self.lvecs, w, dist=self._dist) for c, w in zip(clist, wlist)]
^^^^^^^^^^
AttributeError: 'PeriodicConfigs' object has no attribute '_dist'. Did you mean: 'dist'?
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