[gmx-users] Re: debug from floating exceptions in g_energy (v3.1)

[Lynne E. Bilston]

Following David's directions, I get the following:

Reading frame      0 time    0.000           signal Floating point 
exception at   [do_enx:296 +0x14,0x12001def4]        tmp1 = fr->ener[i].eav;
(dbx) where
 >  0 do_enx(fp = 0, fr = 0x14003d360) ["enxio.c":296, 0x12001def4]
    1 main(argc = 1, argv = 0x11fffc018) ["g_energy.c":922, 0x12001182c]

(dbx) list 295,300
    295
 >* 296      tmp1 = fr->ener[i].eav;
    297      if((tmp1/(fr->step+1))<GMX_REAL_EPS)
    298        tmp1=0;
    299      bOK = bOK && do_real(tmp1);
    300      fr->ener[i].eav = tmp1;

(dbx) print tmp1
0.000000
(dbx) print fr->ener[i].eav
Denormalized number 0xc0087c30


The fp error is the same for all edr files I've tried, not just a few.

>By the way, did you try gmxdump -e ener.edr | more ?
>Does that also crash on the same energy file?
Yes it does, also with an fp error.

(snipped usual header stuff)

Opened pr.edr as single precision energy file
Floating exception

The same energy files read fine in v3.0 of g_energy.

-Lynne