Hi Everyone,
I've just started to use the PRD package and I am experiencing some
funny behaviour.
I ran prd without specifying minimization values (from the manual,
default values are 40 50 0.1 0.1, should that be 0.1 0.1 40 50 instead?)
and what I find is that the simulation runs fine until the very end
where it produces a segmentation fault. The log files are able to
output the last step but dump file is terminated.
If I run the sample input script as is, it works fine (min = 1e-5 1e-5
100 100), but if I remove the values for minimization, the same error
occurs.
Strangely enough, if I use min = 40 50 0.1 0.1 it runs without error,
but min = 0.1 0.1 40 50 gives a segmentation fault.
To me, this seems like there could be a small bug in the package. Or
perhaps there is a logical explanation for this?
Is anyone else able to reproduce these results?
I am running the 15 Jan 2010 version of LAMMPS, and here is the exact
output of the error I get:
[localhost:18549] *** Process received signal ***
[localhost:18549] Signal: Segmentation fault (11)
[localhost:18549] Signal code: Address not mapped (1)
[localhost:18549] Failing at address: (nil)
[localhost:18549] [ 0] /lib/libpthread.so.0 [0x7f626480fa10]
[localhost:18549] [ 1] /lib/libc.so.6(strlen+0x30) [0x7f6264526ff0]
[localhost:18549] [ 2] lmp_openmpi(_ZN9LAMMPS_NS6Output5writeEi+0x294)
[0x635bd4]
[localhost:18549] [ 3] lmp_openmpi(_ZN9LAMMPS_NS3Min3runEi+0x204)
[0x603dd4]
[localhost:18549] [ 4] lmp_openmpi(_ZN9LAMMPS_NS3PRD6quenchEv+0x7c)
[0x6c8edc]
[localhost:18549] [ 5] lmp_openmpi(_ZN9LAMMPS_NS3PRD7commandEiPPc+0xaa8)
[0x6c9c28]
[localhost:18549] [ 6]
lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xa13) [0x5f8b13]
[localhost:18549] [ 7] lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x3fa)
[0x5f924a]
[localhost:18549] [ 8] lmp_openmpi(main+0x4a) [0x60030a]
[localhost:18549] [ 9] /lib/libc.so.6(__libc_start_main+0xe6)
[0x7f62644ca5c6]
[localhost:18549] [10] lmp_openmpi(_ZNSt8ios_base4InitD1Ev+0x41)
[0x4663e9]
[localhost:18549] *** End of error message ***
mpirun noticed that job rank 0 with PID 18549 on node localhost exited
on signal 11 (Segmentation fault).
1 additional process aborted (not shown)
Regards,
John