Re: nmode compile question?

From: James W. Caldwell <>
Date: Tue 10 Sep 2002 11:04:07 -0700 (PDT)

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.


On Tue, 10 Sep 2002, Holger Gohlke wrote:

>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
>> 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
>>                  2002-09-10

James W. Caldwell                         (voice) 415-476-8603
Department of Pharmaceutical Chemistry    (fax)   415-502-1411  
Mail Stop 0446                            (email)
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University of California                  
San Francisco, CA 94143-0446               
Received on Tue Sep 10 2002 - 11:04:07 PDT
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