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
[EMAIL PROTECTED]       [EMAIL PROTECTED]   http://folding.bmc.uu.se
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