Steve,
It happens whether running in multiple threads or a single thread.
Tim
On Wed, Feb 3, 2021 at 2:36 PM Stephen Roughley
wrote:
> Hi Tim,
>
> You mentioned the calculation is done using Java streams. Have you tried
> calling #sequential() on your stream to force it to run single threaded
>
Hi Greg,
The problem seems to happen whether running in a single thread or not.
It does not seem to depend on the molecule. Seems to always happen AFAICT.
The molecules are created from SMILES using RWMol.MolFromSmiles(smiles),
which I believe sanatizes by default.
Tim
On Wed, Feb 3, 2021 at
Hi Tim,
You mentioned the calculation is done using Java streams. Have you tried
calling #sequential() on your stream to force it to run single threaded
from the Java side?
Steve
On Wed, 3 Feb 2021, 12:58 Greg Landrum, wrote:
> Given the fun that threading is, this isn't necessarily
Given the fun that threading is, this isn't necessarily conclusive, but I
just created a small C++ multi-threading test for the morgan fingerprinting
code and everything looks fine. That remains true when the code is run
under valgrind (which is quite good at picking up the usual types of memory
Hi Tim,
I haven't seen this particular problem myself, nor have we gotten any
reports of crashes from the Morgan fingerprinting code.
Comparing the fingerprinting code itself across the 2019.09 and 2020.09
branches I also don't see anything which is likely to cause problems, but
one never knows.
Wondering if anyone had any thoughts on this core dump from Java.
What other info would be useful?
Tim
On Tue, Jan 12, 2021 at 12:55 PM Tim Dudgeon wrote:
> I'm struggling to work out a stange core dump I'm getting when calculating
> Morgan fingerprints from Java. This seems to happen with the
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