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Releases: HabershonLab/cde

v1.0.2 - Fixed RNG

17 Jan 11:21
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Fixes random number generation (RNG) to allow for results from separate runs of CDE with the same input to be properly reproduced when ranseed is set. Further details can be found in e5c8dfb.

Note that RNG will differ between compilers, so CDE compiled with gfortran will generate different results from the same seed when compared to CDE compiled with ifort.

Full Changelog: v1.0.1...v1.0.2

SE-GDS fixes to `stripinactive`-based mechanisms

23 Nov 14:44
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Fixes a major issue with single-ended GDS runs for multiple reactions per mechanism where reactants at each mechanism step were unoptimised. See #3 for full details.

Adds support for parallel compilation within make. Also, upon further reading it seems that fully static compilation of programs involving OpenMP (which CDE needs through its dependence on OpenBLAS) is completely unsupported and will not work on newer compilers. The attached binaries are therefore dynamically linked, and running them will require having OpenBLAS/MKL and OpenMP (depending on the GNU or Intel version) accessible on your LD_LIBRARY_PATH.

First full release

09 Nov 14:59
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Initial version provided with statically compiled binaries.

Note that both compiler toolchains currently require some dynamic linking during compilation. As such the compiled binaries will not function on systems with glibc versions older than they were compiled with. It is therefore recommended to use cde.gnu.x within this release, as it will have greater compatibility.

This should hopefully be fixed (at least to the point of using the latest glibc version to maximise compatibility) once there is CI in place for building binaries. If you are running a newer version of glibc than those specified below, you will need to compile CDE yourself for now.

Binary Compiler glibc
cde.intel.x ifort 2021.10.0 20230609 2.31
cde.gnu.x gfortran 11.3.0 2.34