Re: Namd with intel compilers.

From: Gengbin Zheng (gzheng_at_ks.uiuc.edu)
Date: Wed Mar 17 2004 - 10:52:27 CST

Hi,

 I have heard all kinds of bugs compiling with intel compiler 8.0.
You may want to play with the compiler flags defined in
FLOATOPTS, CXXOPTS and CXXNOALIASOPTS in Linux-i686-icc.arch to see
if it can go away.
 You can remove some -f optimiation options, or lower the optimization
level to -O2. I guess -fno-alias is important though, without it your
simulation may run many times slowr.
 Let us know if you have any luck, thanks!

Gengbin

On Tue, 16 Mar 2004, Hansang Bae wrote:

> Is there anybody who tried compiling namd2 with intel compilers 8.0 on
> redhat9? I get the following error messages.
>
> ...
>
> Info: Entering startup phase 0 with 1447 kB of memory in use.
> Info: Entering startup phase 1 with 1447 kB of memory in use.
> Info: Entering startup phase 2 with 1463 kB of memory in use.
> Info: Entering startup phase 3 with 1464 kB of memory in use.
> FATAL ERROR: Bug in PatchMap::initialize - negative grid dimension.
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Bug in PatchMap::initialize - negative grid
> dimension.
>
> Charm++ fatal error:
> FATAL ERROR: Bug in PatchMap::initialize - negative grid dimension.
>
> This simulation is "alanin".
>
> Thanks,
> Hansang Bae
> 1285 EE Building, Mail Box #58
> West Lafayette, IN 47907-1285
> (H) 765-496-4729
> (L) 765-494-3550 (EE 347)
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:07 CST