AMBER Archive (2002)

Subject: question about nmode again.

From: Yongjun Jiang (yjjiang_at_mail.shcnc.ac.cn)
Date: Tue Sep 17 2002 - 02:15:54 CDT

Dear all,

I recompile the amber7 with 64 bit for nmode as I showed before.
---------------------------------------------------------------------------------
* 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.
------------------------------------------------------------------------------------
The install is broken, and the erro message displays : expecting n32 objects-main.0
   is n64.

Otherwise, if nmode is alone compiled with 64 bit, and it worked well for less than 2800
residues. More than 2800 residues, the output file of nmode is empty, and a core file
is birthed. Of course, the parameters such as MAXMEMX, MAXATOM are proper for more than
2800 ones.

please help me. Thanks.

Jiang

                                 
　　　　　　　　　　　　　　
                          
                         Yongjun Jiang
　　　　　　　　　　　　　　yjjiang_at_mail.shcnc.ac.cn
　　　　　　　　　　　　　　　　　2002-09-17