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15:44:14
drmeister_
I discovered that there's a whole section of nonbonded code that I rely on but wasn't testing for correctness. So I'm working on that now.
15:45:04
drmeister_
It's tricky in C++ when you have blocks of complicated numerical code. How do you instrument them to make them test themselves for correctness without slowing them down with `if` statements?
15:45:47
drmeister_
I'm going to convert them to template functions with template arguments that will inline testing code.
15:48:05
drmeister_
Then I get (1) a single block of source that I need to worry about (2) source information (3) speed (4) ability to instrument the code for testing.
15:50:33
drmeister_
clothespin: Not in this case. This is code for evaluating an energy function on thousands of variables along with its first and second derivatives over thousands of terms.
15:50:59
drmeister_
There is a problem in the gradient/first derivative evaluation and I'm trying to track it down.
15:51:39
drmeister_
I calculate analytical derivatives (fast) and numerical derivatives (slow) and they aren't matching - so something is wrong.
15:52:58
drmeister_
Regarding building clasp - it definitely works in our hands. I'm building on debian. The problem is going to be something in your environment that we haven't accounted for.
17:07:17
bike
it looks like add_dynamic_library_impl has a hardcoded search for _init. that seems dubious.
17:32:48
yitzi
Looks like the error happens earlier. On arch it never gets to the point of looking for _init because dl_iterate_phdr was sucessful.
17:44:52
yitzi
Adding a bool indicator vs relying NULL addresses to indicate failure seemed to work.