AMBER Archive (2002)

Subject: Re: nmode compile question?

From: James W. Caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Tue Sep 10 2002 - 13:04:07 CDT


Nmode is (and always has been) 64 bit code. To go over 2GB
of storage you need to run on a 64 bit CPU. Alpha, Itanium,
MIPS etc. x86 machines are limited to 2GB.

jim

On Tue, 10 Sep 2002, Holger Gohlke wrote:

>Hi,
>
>I think it is because if nmode is compiled as a 32-bit application,
>array size is limited to 2GB. As proposed, you might replace "-n32"
>occurences in your "MACHINE" file with "-64" and recompile nmode. You
>will also have to recompile files in amber7/src/lib,
>Machines/standard/sys.a, blas, and lapack in that case. Perhaps others
>have more experience with that in terms of influence on the performance,
>... ?
>
>I hope this gives a starting point - best regards
>
>Holger
>
>> I have met one question about nmode compiling.
>> The nmode.out file hints to increase the real memory by 380235534 words, and I revised
>> parameter (MAXMEMX=420000000) in the sizes.h, then recompiled nmode.
>> The error message are shown :
>> real *8 x (MAXMEMX)
>> f90-1435 f90:ERROR NMODE, File =_nmode_.f, Line=51,Column=13
>> The storage size needed for "X" exceeds 268,435,455 bytes, the maximum storge size available for the ABI. If compiling -n32,try -64.
>>
>> the free memory is 28G.
>>
>> Please help me. Thanks a lot.
>>
>>               Yongjun Jiang
>>               yjjiang_at_mail.shcnc.ac.cn
>>                  2002-09-10
>
>

-- 

---------------------------------------------------------------------------- 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 ----------------------------------------------------------------------------