Based on general theory: does your file end properly? Sometimes an
unexpected ending will fool a reader program into an infinite loop,
which if allocating memory could lead to what you observe.
Bill
On 11/12/2012 8:25 PM, Daniel Sindhikara wrote:
> Hello all,
> Today I wanted to do a trivial task, adding some force field
> parameters using an frcmod file. However when loading it in tleap
> it sucks up all my memory then crashes (due to lack of memory).
> I assume I'm doing something silly.
>
> I'm using AT12 with all patches (up through Nov 13th 2012, JST)
> Here is the output:
>
> Loading parameters: ./manual.frcmod
> Reading force field modification type file (frcmod)
> Reading title:
> manual parameters Unused in 3DRISM single point
> teLeap(89539) malloc: *** mmap(size=18446744071562072064) failed (error
> code=12)
> *** error: can't allocate region
> *** set a breakpoint in malloc_error_break to debug
> !FATAL ERROR----------------------------------------
> !FATAL: In file [varArray.c], line 182
> !FATAL: Message: Realloc: Cannot allocate memory!
> !ABORTING.
>
> Here is the input:
>
> manual parameters Unused in 3DRISM single point
>
> BOND
> S -c1 371.80 1.630 Dan added as c1-s
>
> ANGLE
> CT-S -c1 39.350 99.900 Dan Same as c1-ss-c3
> S -c1-c3 87.500 120.960 Dan angle according to expt
> S -c1-o 87.500 123.060 Dan angle according to expt
> c3-c1-o 63.070 179.500 Dan same as gaff c2-c1-o
>
> DIHE
> CT-S-c1-c3 1 1.100 180.000 -2.000 same as GAFF
> c2-c2-ss-c3
> CT-S-c1-o 1 1.100 180.000 -2.000 same as GAFF
> c2-c2-ss-c3
>
>
> I appreciate any help.
> -Dan
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Received on Mon Nov 12 2012 - 22:00:03 PST
