Hello,
I have been using the parallel version of lammps for windows (from lammps site) for a while on a 32 bit XP machine with two quad core Xeon cpus without any problems.
Now I have a new workstation with 64-bit XP professional and I installed mpich2’s 64 bit version but on this machine lmp_win_mpi can’t start and prompts an error telling me that mpich2mpi.dll is missing (although it’s actually there). I have seen a similar problem was reported in the list before but couldn’t see a solution there. I don’t have much experience on these parallel programming but I suspect that the lmp_win_mpi seeks specifically the 32 bit version of mpich2mpi.dll. I will appreciate any help or solution, thanks in advance.
Al
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Maybe Paul has an idea on this.
Steve
Hello,
I have been using the parallel version of lammps for windows (from lammps site) for a while on a 32 bit XP machine with two quad core Xeon cpus without any problems.
Now I have a new workstation with 64-bit XP professional and I installed mpich2's 64 bit version but on this machine lmp_win_mpi can't start and prompts an error telling me that mpich2mpi.dll is missing (although it's actually there). I have seen a similar problem was reported in the list before but couldn't see a solution there. I don't have much experience on these parallel programming but I suspect that the lmp_win_mpi seeks specifically the 32 bit version of mpich2mpi.dll. I will appreciate any help or solution, thanks in advance.
well, the obvious suggestion would be to install the 32-bit version of mpich.
have you tried that?
BTW: there isn't much of a benefit for a classical MD code to be run in 64-bit
mode (unlike quantum chemistry). if it wasn't due the extra four general
purpose registers in the x86_64 architecture, there actually would be
a performance penalty.
cheers,
axel.
I’d recommend installing mpich2’s 32-bit version and trying that.
Paul