[gmx-users] intel compiler + amd64: help needed.

[David van der Spoel]

Jones de Andrade wrote:
> Hi David.
> 
> Thanks a lot. But almost there. first, coulsave is already n "int" type 
> variable:
> 
> int vdwsave,coulsave,read_from_mem,write_to_mem; (line 294)
> 
> So, the change from:
> 
> mknb_func.coul=coulsave;
> mknb_func.vdw=vdwsave;
> 
> To:
> 
> mknb_func.coul=(int)coulsave;
> mknb_func.vdw=(int)vdwsave;
> 
> Was pointless, and unfortunatelly yelded the same crash. Unfortunatelly, 
> fortran addicted (seems that its more than time to try a few other 
> things, tastes and sensations out...), so I don't know how to write the 
> new declaration line.
> 
> Just in advance: if I search in the file for the coulsave, I found those 
> two lines AND the following:
> 
> coulsave=mknb_func.coul;
> vdwsave=mknb_func.vdw;
> 
> Am I wrong, or does it means that coulsave is used as both (if yes, how 
> hell someone could compile it in first place? :P and even get extra 
> performance!) as we fear?

The mknb_func.coul is of another type (a subset of int) there you can 
give its value to an integer, but not necessarily the other way around.
I find it very unlikely that this would crash the program. But since you 
now have a version compiled with -g you can debug it.
Run gdb mknb
gdb> run
and see where it crashes


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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