run time with .dll debug messages

[napata]

An MD program runs perfect with 4200 atoms. When the number is doubled I get the following runtime and debug error messages.

run-tim error M6201: Math
sqrt: domain error

The line the message refers invloves
y = sqrt(1. - cosx*cosx)
However, the two lines preceding this statment are:
if(cosx.lt. -1.)cosx=-1.0
if(cosx.gt.1.)cosx=1.
Thus the sqrt seems to be out of question.

c---message in debug window
Loaded 'C:WINNTSystem32 tdll.dll', no matching symbolic information found.
Loaded 'C:WINNTsystem32KERNEL32.DLL', no matching symbolic information found.
Loaded 'C:WINNTsystem32IMAGEHLP.DLL', no matching symbolic information found.
Loaded 'C:WINNTsystem32msvcrt.dll', no matching symbolic information found.
Loaded 'C:WINNTsystem32dbghelp.dll', no matching symbolic information found.
The thread 0x7FC has exited with code 2 (0x2).
The program 'D: anotubepulsemdDebugpulsemd.exe' has exited with code 2 (0x2).

[Steven_L_Intel1]

The SQRT probably is very much in the question, but it may be something else that corrupted the argument to it. For example, if you have a calling mechanism mismatch (STDCALL vs. C), you could be corrupting the stack.

The only message of interest is the M6201. The others are irrelevant.

Steve