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Description
Describe the bug
Setting checkpoint=-1 ( https://qmcpack.readthedocs.io/en/develop/methods.html#general-qmc-inputs ) as per the following did not result in any checkpoint settings in the generated QMCPACK input XML or an error from Nexus. However Nexus does appear to support the checkpoint keyword. => Is this a missing feature or a bug?
I found this problem due to a need to disable checkpointing in some science runs due to poor I/O times (30 mins to save configs & random seed files on a single node... ).
dmcJ123_dt01 = generate_qmcpack(
identifier = 'dmc_J123_dt01',
path = Mysystem+'/dmc_J123_dt01',
job = dmc_job,
system = system,
pseudos = 'ccecp',
jastrows = [],
qmc = 'dmc',
driver = 'batched',
max_seconds = 83000,
checkpoint = -1,
vmc_warmupsteps = 100,
vmc_blocks = 1,
vmc_steps = 1,
eq_dmc = True,
blocks = 160,
steps = 400,
total_walkers = 9600,
timestep = 0.01,
nonlocalmoves = "v3",
dependencies = orbdeps+[(optJ123_3,'jastrow')],
)
To Reproduce
As above.
Using a version of develop from a few months back.
Expected behavior
Checkpoint=-1 in each driver section.
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