Re: nmode compile question?

From: Holger Gohlke <>
Date: Tue 10 Sep 2002 09:17:24 -0700


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

Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
Received on Tue Sep 10 2002 - 09:17:24 PDT
Custom Search