On Thu, Jun 10, 2004, Dat H. Nguyen wrote:
>
> I tried to simulate a system of about 5400 TIP4P water molecules (only
> water, not solute) using the parallel version of sander module in AMBER
> 8 and I use frcmod.tip4pew forcefield parameters. However, I got a core
> dump with the following error:
>
> forrtl: error (73): floating divide by zero
> 0: __FINI_00_remove_gp_range [0x3ff81a21488]
> 1: __FINI_00_remove_gp_range [0x3ff81a2a200]
> 2: __FINI_00_remove_gp_range [0x3ff800d5d10]
> 3: rdparm2_ [_rdparm.f: 1584, 0x1200936b4]
> 4: sander_ [_sander.f: 2496, 0x12005a538]
> 5: multisander_ [_sander.f: 885, 0x1200592c0]
> 6: main [for_main.c: 203, 0x12013d40c]
> 7: __start [0x1200250c8]
> /usr/local/bin/mpirun: 450484 Abort - core dumped
There is a tip4p test case in the Amber distribution: you might try to figure
out how your prmtop differs from the one there.
....dac
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Received on Fri Jun 11 2004 - 15:53:00 PDT
