You need to tell us what hardware/operating system
you are using...
On Thu, 31 May 2001, Elizabeth K. White wrote:
> AMBER compiles with reasonable success, except for a ton of warnings
> about problems between 32-bit and 64-bit pointer casts, which arise
> because the gcc compiler I am using doesn't support the -taso option.
> Will this cause me any problems later? Has anyone found a workaround for
> this?
> However, when I test the compilation by typing 'make test.all' in the
> $AMBERHOME/test directory, the program chokes and dies in the Run.nmr
> routine, during a call to sander, because of a floating point error. The
> failure seems to take place in the FORTRAN code for setting machine
> precision, etc. The debugger reports the following:
> object file name: ../../exe/sander
> Reading symbolic information ...done
> (ladebug) run -O -i mdin.nmr -o mdout
> Thread received signal FPE
> stopped at [subroutine dlamc1():221 0x1200aea48]
> Source file not found or not readable, tried...
> dlamch.f
> ./dlamch.f
> ../../exe/dlamch.f
> (Cannot find source file dlamch.f)
> (ladebug) where
> >0 0x1200aea48 in dlamc1() "dlamch.f":221
> #1 0x1200aeabc in dlamc2() "dlamch.f":424
> #2 0x1200ae66c in dlamch() "dlamch.f":76
> #3 0x1200a959c in dspev() "dspev.f":132
> #4 0x12008ba7c in align1() "_align_.f":377
> #5 0x12002a61c in force() "_force_.f":811
> #6 0x120039c0c in runmd() "_runmd_.f":637
> #7 0x12000356c in sander() "_sander_.f":822
> #8 0x1200a9314 in ../../exe/sander
> #9 0x2000156bd40
> #10 0x11ffff70c
>
> Does anyone have any idea what is wrong here? Another floating point
> error happens during the call to nmode, if that sheds any light on the
> problem. I have applied all the bug fixes that might bear on the problem
> (at least I think so). If there is more info I can supply, please
> let me know. Thanks in advance for the help!
>
> Elizabeth White
>
>
>
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James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue
University of California
San Francisco, CA 94143-0446
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Received on Thu May 31 2001 - 15:29:52 PDT
