Hoomd.run is limited to integers, 1e10 number of steps fails

[Amir Abbasi]

Dear All,

I am using Hoomd-bluev2.9.7. I want to do a simulation with large number of steps ~ 1e10, but it seems hoomd.run accepts integers not bignum, etc. I saw somewhere that this issue has to do with pybind11. Anyway, is there any solution for this issue?

best regards,

Amir

Here is the error message in details:

notice(2): -- Neighborlist exclusion statistics -- :

notice(2): Particles with 0 exclusions : 20000

notice(2): Neighbors included by diameter : no

notice(2): Neighbors excluded when in the same body: no ** starting run **

--------------------------------------------------------------------------- TypeError Traceback (most recent call last) /tmp/ipykernel_162141/1753523147.py in <module> ----> 1 hoomd.run(1e10); /net/storage/abbaa90/miniconda3/envs/main/lib/python3.9/site-packages/hoomd/__init__.py in run(tsteps, profile, limit_hours, limit_multiple, callback_period, callback, quiet) 199 if not quiet: 200 context.msg.notice(1, "** starting run **\n"); --> 201 context.current.system.run(int(tsteps), callback_period, callback, limit_hours, int(limit_multiple)); 202 if not quiet: 203 context.msg.notice(1, "** run complete **\n"); TypeError: run(): incompatible function arguments. The following argument types are supported: 1. (self: hoomd._hoomd.System, arg0: int, arg1: int, arg2: object, arg3: float, arg4: int) -> None Invoked with: <hoomd._hoomd.System object at 0x7effdcaea370>, 10000000000, 0, None, 0.0, 1

[Joshua Anderson]

Amir,

Upgrade to the v3.0 beta. It supports simulation time steps in the range [0,2**64-1].
------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan

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[Amir Abbasi]

Thanks for the answer. I will.

Cheers,

Amir